Compounds

Showing 201 through 300 of 408
Rank Compound SMILES ΔG / kcal M-1 pIC50
201 EDJ-MED-4138fde9-9 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CC(C6)O −7.7 ± 0.8 5.6 ± 0.6
202 VLA-UNK-f2612802-3 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl −7.7 ± 0.4 5.6 ± 0.3
203 LUO-POS-e1dab717-5 molecule CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OC)Cl −7.6 ± 0.3 5.5 ± 0.2
204 PET-UNK-c6bcc80b-4 molecule CS(=O)(=O)Nc1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −7.6 ± 0.9 5.5 ± 0.7
205 LUO-POS-e1dab717-1 molecule CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −7.5 ± 0.3 5.5 ± 0.2
206 ALP-POS-c3a90b22-6 molecule CNC(=O)CCN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −7.5 ± 0.3 5.5 ± 0.2
207 MAT-POS-e75f6e44-20 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 −7.5 ± 0.4 5.5 ± 0.3
208 PET-UNK-94036022-10 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −7.5 ± 0.7 5.5 ± 0.5
209 MAT-POS-69786b79-1 molecule CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −7.5 ± 0.4 5.5 ± 0.3
210 PET-UNK-94036022-9 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −7.5 ± 0.5 5.4 ± 0.4
211 EDJ-MED-59d5ca70-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 −7.5 ± 0.5 5.4 ± 0.4
212 ALP-POS-4483ae88-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl −7.3 ± 0.5 5.3 ± 0.4
213 MAT-POS-853c0ffa-11 molecule CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −7.3 ± 0.7 5.3 ± 0.5
214 JOH-MSK-1f2dff76-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −7.2 ± 0.3 5.3 ± 0.2
215 ALP-POS-41e2080f-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −7.2 ± 0.4 5.3 ± 0.3
216 LUO-POS-e1dab717-11 molecule CCNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl −7.1 ± 0.7 5.1 ± 0.5
217 EDJ-MED-40e596c8-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 −7.0 ± 0.5 5.1 ± 0.4
218 MAT-POS-853c0ffa-5 molecule c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −7.0 ± 0.1 5.08 ± 0.10
219 MAT-POS-1d5ab790-1 molecule c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −6.9 ± 0.1 5.05 ± 0.10
220 VLA-UNK-3a43cd95-3 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl −6.9 ± 0.2 5.0 ± 0.1
221 PET-UNK-77d5678a-6 molecule COC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −6.9 ± 0.2 5.0 ± 0.2
222 MIK-ENA-be04d1d4-1 molecule CC[C@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −6.9 ± 0.6 5.0 ± 0.5
223 EDJ-MED-33064c06-5 molecule CN(C)C1(CC1)CNC(=O)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −6.8 ± 0.5 5.0 ± 0.4
224 MIK-ENA-edcfce18-1 molecule CC[C@@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −6.8 ± 0.8 5.0 ± 0.6
225 EDJ-MED-dfa1d800-5 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl −6.8 ± 0.4 4.9 ± 0.3
226 MAT-POS-853c0ffa-7 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl −6.8 ± 0.7 4.9 ± 0.5
227 LUO-POS-e1dab717-8 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)c6cc(ccc6C2=O)Cl −6.7 ± 0.6 4.9 ± 0.4
228 MAT-POS-50a80394-3 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −6.7 ± 0.7 4.9 ± 0.5
229 JOH-MSK-1f2dff76-2 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −6.7 ± 0.3 4.9 ± 0.3
230 VLA-UNK-8e615992-5 molecule CNC(=O)CN1C(C2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F −6.7 ± 0.4 4.9 ± 0.3
231 EDJ-MED-98c0a822-2 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −6.6 ± 0.5 4.8 ± 0.4
232 MIK-ENA-623fe2a6-1 molecule C[C@@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −6.6 ± 0.8 4.8 ± 0.6
233 ALP-POS-ecbed2ba-9 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CC(C6)C#N −6.6 ± 0.8 4.8 ± 0.6
234 VLA-UCB-05e51b3f-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CCOc5c4cc(cc5)Cl −6.6 ± 0.1 4.79 ± 0.08
235 ALP-POS-ecbed2ba-18 molecule CCN(C)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −6.5 ± 1.0 4.8 ± 0.7
236 EDJ-MED-ee81482e-2 molecule CN1CC(C1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −6.5 ± 0.6 4.7 ± 0.5
237 PET-UNK-77d5678a-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −6.5 ± 0.3 4.7 ± 0.2
238 MAT-POS-853c0ffa-21 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl −6.4 ± 0.8 4.6 ± 0.5
239 MIK-ENA-5d9157e9-2 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −6.3 ± 1.0 4.6 ± 0.7
240 MAT-POS-853c0ffa-17 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl −6.3 ± 0.7 4.6 ± 0.5
241 EDJ-MED-4138fde9-3 molecule CNCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC −6.2 ± 0.6 4.5 ± 0.5
242 MAT-POS-853c0ffa-6 molecule c1cc2c(cc1Cl)C3(CCN(C3=O)c4cncc5c4c(cc(c5)F)Cl)CN(C2)S(=O)(=O)CC6(CC6)C#N −6.2 ± 0.1 4.54 ± 0.10
243 LUO-POS-868e8996-10 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −6.2 ± 0.1 4.54 ± 0.10
244 MAT-POS-853c0ffa-14 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl −6.2 ± 0.7 4.5 ± 0.5
245 PET-UNK-77d5678a-4 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −6.2 ± 0.2 4.5 ± 0.2
246 MIC-UNK-257d841f-1 molecule c1ccc2c(c1)cncc2N3CC(C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)C7CC7 −6.1 ± 0.8 4.5 ± 0.6
247 PET-UNK-626a1084-4 molecule C#CCN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −6.1 ± 0.2 4.5 ± 0.2
248 EDJ-MED-7e491f08-1 molecule c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F −6.1 ± 0.9 4.5 ± 0.6
249 ALP-POS-ecbed2ba-11 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCOCC6)C#N −6.1 ± 0.9 4.5 ± 0.7
250 MIK-ENA-8063e9dc-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −6.1 ± 0.8 4.4 ± 0.6
251 MAT-POS-1a788f51-2 molecule COCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −6.1 ± 1.0 4.4 ± 0.7
252 EDJ-MED-accc2c4d-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC#N −6.0 ± 0.7 4.4 ± 0.5
253 EDJ-MED-accc2c4d-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CCC#N −6.0 ± 0.8 4.4 ± 0.6
254 LUO-POS-868e8996-7 molecule CNC(=O)CN1C[C@@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −5.9 ± 0.1 4.32 ± 0.09
255 MIK-ENA-0547b12c-1 molecule CC[C@@H]1CN(C(=O)[C@@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −5.9 ± 0.8 4.3 ± 0.6
256 PET-UNK-94036022-11 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −5.9 ± 0.7 4.3 ± 0.5
257 LUO-POS-d1147590-1 molecule CN1CCC(CC1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −5.9 ± 1.0 4.3 ± 0.7
258 MAT-POS-853c0ffa-8 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl −5.8 ± 0.9 4.2 ± 0.7
259 ALP-POS-ecbed2ba-1 molecule CC1(CS(=O)(=O)C1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −5.8 ± 0.8 4.2 ± 0.6
260 EDJ-MED-b6c6ee2b-4 molecule c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.8 ± 0.8 4.2 ± 0.6
261 EDJ-MED-4138fde9-4 molecule CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCNCC(F)(F)F)Cl −5.8 ± 0.7 4.2 ± 0.5
262 ALP-POS-ecbed2ba-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.7 ± 0.9 4.2 ± 0.6
263 MIK-ENA-17e27e9c-1 molecule C[C@H]1CN(C(=O)[C@@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −5.7 ± 0.7 4.1 ± 0.5
264 MAT-POS-853c0ffa-20 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl −5.7 ± 0.7 4.1 ± 0.5
265 EDJ-MED-94fddcec-6 molecule CN(c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl)S(=O)(=O)C −5.6 ± 0.5 4.1 ± 0.3
266 EDJ-MED-5cd3920d-6 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F −5.6 ± 1.0 4.1 ± 0.7
267 JOH-MSK-51c67e7d-2 molecule CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −5.6 ± 0.4 4.1 ± 0.3
268 EDJ-MED-accc2c4d-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)[C@@]6C[C@@]6C#N −5.6 ± 0.8 4.1 ± 0.6
269 ALP-POS-4483ae88-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl −5.6 ± 0.4 4.1 ± 0.3
270 MIK-ENA-99706bb8-1 molecule C[C@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −5.6 ± 0.8 4.1 ± 0.6
271 MAT-POS-1bed62cf-3 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −5.6 ± 0.3 4.1 ± 0.2
272 ALP-POS-ecbed2ba-6 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −5.6 ± 0.7 4.1 ± 0.5
273 LUO-POS-8484f2d3-2 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.5 ± 1.0 4.0 ± 0.7
274 MIC-UNK-c85ea37c-1 molecule c1ccc2c(c1)cncc2N3CC(C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)CC7CCCCC7 −5.5 ± 0.6 4.0 ± 0.4
275 LUO-POS-e1dab717-18 molecule CC1(CC2(CN(Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4cncc5c4cccc5)C −5.5 ± 0.4 4.0 ± 0.3
276 JOH-MSK-51c67e7d-1 molecule CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl −5.3 ± 0.3 3.9 ± 0.2
277 PET-UNK-626a1084-2 molecule C#CCN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −5.2 ± 0.3 3.8 ± 0.2
278 PET-UNK-94036022-12 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −5.2 ± 0.8 3.8 ± 0.6
279 LUO-POS-868e8996-9 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.1 ± 0.8 3.7 ± 0.6
280 ALP-POS-ecbed2ba-10 molecule COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −5 ± 1 3.7 ± 0.7
281 EDJ-MED-4138fde9-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6COC6 −5.0 ± 0.8 3.7 ± 0.6
282 JOH-MSK-4bb3d434-2 molecule COC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −5.0 ± 0.3 3.7 ± 0.2
283 JOH-MSK-1f2dff76-3 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CNCc5c4cc(cc5)Cl −5.0 ± 0.4 3.7 ± 0.3
284 MAT-POS-1a788f51-1 molecule c1cc2cncc(c2cc1OCCO)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.0 ± 0.8 3.6 ± 0.6
285 MAT-POS-40ad851a-5 molecule c1cc2cncc(c2cc1OCCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −4.9 ± 0.9 3.6 ± 0.7
286 LUO-POS-f7b1afe6-4 molecule CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C −4.9 ± 0.4 3.6 ± 0.3
287 MIK-ENA-2c0ad173-1 molecule C[C@@H]1CN(C(=O)[C@@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −4.9 ± 1.0 3.6 ± 0.7
288 PET-UNK-94036022-2 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −4.8 ± 0.8 3.5 ± 0.6
289 EDJ-MED-5cd3920d-1 molecule c1cc2cncc(c2cc1OC(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −4.8 ± 0.9 3.5 ± 0.6
290 EDJ-MED-ede5c6cb-2 molecule c1cc2c(cc1NS(=O)(=O)C3CC3)cncc2N4CCC5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl −4.7 ± 0.4 3.5 ± 0.3
291 MAT-POS-40ad851a-4 molecule CN(C)CCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −4.7 ± 0.8 3.4 ± 0.6
292 PET-UNK-626a1084-3 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −4.6 ± 0.2 3.4 ± 0.2
293 EDJ-MED-dfa1d800-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl −4.6 ± 0.3 3.4 ± 0.2
294 MIC-UNK-257d841f-2 molecule c1ccc2c(c1)cncc2N3CC(C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)CC7CC7 −4.6 ± 0.5 3.3 ± 0.4
295 MIK-ENA-e143773d-1 molecule CC[C@H]1CN(C(=O)[C@@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −4.5 ± 0.9 3.3 ± 0.7
296 EDJ-MED-ee81482e-5 molecule c1cc2cncc(c2cc1CN3CC4(C3)COC4)N5CCC6(C5=O)CN(Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N −4.5 ± 0.9 3.3 ± 0.6
297 ALP-POS-ecbed2ba-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCS(=O)(=O)CC6)C#N −4.4 ± 0.8 3.2 ± 0.6
298 VLA-UNK-61877630-8 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N −4.3 ± 0.9 3.1 ± 0.6
299 ALP-POS-ecbed2ba-20 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 −4 ± 1 3.1 ± 0.8
300 EDJ-MED-dfa1d800-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl −4.3 ± 0.3 3.1 ± 0.2
Last updated 2022-02-22T22:06:42.276973+00:00
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