Compounds

Showing 201 through 300 of 657
Rank Compound SMILES ΔG / kcal M-1 pIC50
201 MAT-POS-afd4d4fd-3 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3Cl)Cl −6.81 ± 0.04 4.96 ± 0.03
202 JAN-GHE-5a013bed-5 molecule c1cc(cc(c1)Cl)CC(=O)Nn2cnnc2 −6.8 ± 0.2 5.0 ± 0.1
203 DAR-DIA-076fb6ea-4 molecule Cc1ccncc1N(C(=O)Cc2cccc(c2)Cl)C(=O)/C=C/C(=O)OC −6.8 ± 0.2 4.9 ± 0.2
204 EDJ-MED-ee07cf00-4 molecule CC(C(=O)NC(c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC4 −6.77 ± 0.07 4.93 ± 0.05
205 MAT-POS-14ad9fe9-1 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCN3 −6.76 ± 0.08 4.93 ± 0.06
206 VLA-UNK-4cf5aa07-1 molecule c1ccc2c(c1)c(sn2)NC(=O)Cc3cccc(c3)Cl −6.8 ± 0.1 4.92 ± 0.09
207 MIC-UNK-67d4a29a-1 molecule CN(c1cncc2c1c(ccc2)Cl)C(=O)Cc3cccc(c3)Cl −6.7 ± 0.2 4.9 ± 0.1
208 TRY-UNI-9f475305-7 molecule Cc1cc(no1)CN(C(=O)Cc2cccc(c2)Cl)C(=O)NC3CC3 −6.7 ± 0.2 4.9 ± 0.2
209 VLA-UNK-4cf5aa07-2 molecule c1ccc2c(c1)c(on2)NC(=O)Cc3cccc(c3)Cl −6.7 ± 0.1 4.91 ± 0.08
210 MIC-UNK-67d4a29a-2 molecule CN(c1cncc2c1c(ccc2)F)C(=O)Cc3cccc(c3)Cl −6.7 ± 0.2 4.9 ± 0.2
211 JIN-POS-6dc588a4-21 molecule c1ccc2c(c1)c(c(cn2)O)NC(=O)Cc3cccc(c3)Cl −6.74 ± 0.06 4.91 ± 0.04
212 BAR-COM-ebf5acce-15 molecule Cc1ccncc1N(C[C@H](CN)O)C(=O)Cc2cccc(c2)Cl −6.7 ± 0.3 4.9 ± 0.2
213 TRY-UNI-714a760b-3 molecule Cc1c(cncc1NC(=O)Cc2cccc(c2)Cl)N −6.73 ± 0.07 4.90 ± 0.05
214 ALP-POS-95b75b4d-5 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C3CC3 −6.72 ± 0.08 4.89 ± 0.06
215 MIC-UNK-5a93dd5f-7 molecule CC(=O)N(C)C1CCN(C1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.7 ± 0.1 4.89 ± 0.09
216 PET-UNK-1320d94d-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCOCC5 −6.7 ± 0.2 4.9 ± 0.1
217 VLA-UCB-05e51b3f-16 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.7 ± 0.2 4.9 ± 0.1
218 EDJ-MED-50fe53e8-1 molecule c1ccc2c(c1)cnnc2NC(=O)Cc3cccc(c3)Cl −6.67 ± 0.08 4.86 ± 0.06
219 PET-UNK-1320d94d-24 molecule CN([C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCOCC5 −6.7 ± 0.2 4.9 ± 0.2
220 EDJ-MED-49816e9b-2 molecule Cc1ccnc(c1NC(=O)Cc2cccc(c2)Cl)C −6.7 ± 0.1 4.85 ± 0.09
221 MAT-POS-8293a91a-7 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)[C@H]4CC[C@H](O4)C(=O)N5CCCC5 −6.65 ± 0.09 4.84 ± 0.06
222 RUB-POS-1325a9ea-13 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cn[nH]3 −6.63 ± 0.08 4.83 ± 0.06
223 EDJ-MED-ee07cf00-9 molecule c1ccc(cc1)c2nnn(n2)CC(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −6.63 ± 0.08 4.83 ± 0.06
224 ADA-UCB-6c2cb422-9 molecule Cc1ccncc1NC(=O)[C@@H](COc2ccccc2OC)c3cccc(c3)Cl −6.6 ± 0.2 4.8 ± 0.2
225 PET-UNK-d899bab6-2 molecule CN(C)c1cc2c(cc1F)cncc2NC(=O)Cc3cccc(c3)Cl −6.6 ± 0.1 4.8 ± 0.1
226 JAN-GHE-f4ca5a00-19 molecule CCCCC(c1cccc(c1)Cl)C(=O)Nn2cnnc2C3CC3 −6.6 ± 0.2 4.8 ± 0.1
227 MAT-POS-bb423b95-9 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3Cl −6.61 ± 0.03 4.81 ± 0.02
228 MAK-UNK-ffc90da7-8 molecule CC(C)OCCCc1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl −6.6 ± 0.2 4.8 ± 0.1
229 ANN-UNI-98d2bf15-3 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C(=O)N −6.6 ± 0.1 4.80 ± 0.09
230 MAT-POS-e1b5ac6b-1 molecule c1ccc2c(c1)c(cc(=O)[nH]2)NC(=O)Cc3cccc(c3)Cl −6.6 ± 0.1 4.79 ± 0.08
231 MAT-POS-199e2e7c-1 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCC3 −6.57 ± 0.07 4.79 ± 0.05
232 MAT-POS-f7918075-4 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]c(=O)[nH]3 −6.6 ± 0.1 4.78 ± 0.09
233 MAK-UNK-ffc90da7-9 molecule CC1C(CCO1)SCC(C)c2ccc3c(c2)cncc3NC(=O)Cc4cccc(c4)Cl −6.55 ± 0.10 4.77 ± 0.07
234 EDJ-MED-ee07cf00-8 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4cc(c(=O)[nH]c4=O)C#N −6.55 ± 0.09 4.77 ± 0.07
235 PET-UNK-f92d7c0c-4 molecule c1cc(cc(c1)Cl)CC(=O)N[C@@H]2CCOC2 −6.5 ± 0.1 4.8 ± 0.1
236 PET-UNK-158bee2a-1 molecule c1ccc2c(c1)c(sn2)NC(=O)Cc3cccc(c3)Cl −6.5 ± 0.1 4.76 ± 0.09
237 ALP-POS-95b75b4d-7 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2S(=O)(=O)N −6.5 ± 0.1 4.8 ± 0.1
238 MIC-UNK-67d4a29a-3 molecule Cc1cccc2c1c(cnc2)N(C)C(=O)Cc3cccc(c3)Cl −6.5 ± 0.2 4.8 ± 0.1
239 DAR-DIA-076fb6ea-9 molecule c1ccc2c(c1)cncc2N(C#CC3CCCN3)C(=O)Cc4cccc(c4)Cl −6.5 ± 0.2 4.8 ± 0.2
240 DAR-DIA-076fb6ea-13 molecule Cc1ccncc1N(C(=O)Cc2cccc(c2)Cl)C(=O)/C=C/CN(C)C −6.5 ± 0.2 4.8 ± 0.2
241 JIN-POS-6dc588a4-7 molecule c1ccc2c(c1)c(ncn2)NC(=O)Cc3cccc(c3)Cl −6.5 ± 0.1 4.75 ± 0.10
242 EDJ-MED-a364e151-3 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2OCO3 −6.5 ± 0.1 4.74 ± 0.08
243 PET-UNK-b1ef24dc-1 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2onc3 −6.50 ± 0.07 4.74 ± 0.05
244 JAN-GHE-5a013bed-6 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnns2 −6.5 ± 0.1 4.73 ± 0.10
245 EDJ-MED-ee07cf00-10 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4cnc(n4)C(F)(F)F −6.49 ± 0.09 4.73 ± 0.06
246 EDJ-MED-ee07cf00-3 molecule Cn1c2c(cn1)c(=O)n(cn2)CC(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −6.49 ± 0.08 4.73 ± 0.06
247 JIN-POS-6dc588a4-9 molecule c1ccn2c(c1)c(cn2)NC(=O)Cc3cccc(c3)Cl −6.48 ± 0.07 4.72 ± 0.05
248 PET-UNK-8df914d1-3 molecule Cc1cncc(c1C)NC(=O)Cc2cccc(c2)Cl −6.5 ± 0.1 4.72 ± 0.08
249 PET-UNK-f92d7c0c-2 molecule c1ccc2c(c1)COC[C@@H]2NC(=O)Cc3cccc(c3)Cl −6.5 ± 0.2 4.7 ± 0.1
250 PET-UNK-158bee2a-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2ccns2 −6.5 ± 0.1 4.7 ± 0.1
251 MIC-UNK-08cd9c58-1 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccn3 −6.46 ± 0.03 4.71 ± 0.02
252 PET-UNK-b1ef24dc-3 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cno3 −6.5 ± 0.1 4.70 ± 0.08
253 JAN-GHE-f4ca5a00-16 molecule c1cc(cc(c1)Cl)CC(=O)Nn2cnnc2C3CC3 −6.4 ± 0.2 4.7 ± 0.1
254 JOH-UNI-3fc3434e-5 molecule CN(c1cncc2c1c(ccc2)C(=O)C#C)C(=O)Cc3cccc(c3)Cl −6.4 ± 0.2 4.7 ± 0.2
255 PET-UNK-7f7e354d-7 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cco3 −6.4 ± 0.1 4.69 ± 0.07
256 JAG-UCB-a3ef7265-9 molecule Cc1c(c(on1)C)NC(=O)Cc2cccc(c2Cl)Cl −6.4 ± 0.1 4.7 ± 0.1
257 JAG-UCB-a3ef7265-10 molecule Cc1nnc(s1)NC(=O)Cc2cccc(c2F)Cl −6.4 ± 0.1 4.7 ± 0.1
258 JOH-UNI-3fc3434e-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)C(=O)/C=C/C#N −6.4 ± 0.2 4.7 ± 0.1
259 EDJ-MED-ee07cf00-17 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4c(=O)c5ccnn5cn4 −6.40 ± 0.09 4.66 ± 0.06
260 JAN-GHE-83b26c96-8 molecule CCCC(c1cccc(c1)Cl)C(=O)Nc2cnccc2C −6.40 ± 0.06 4.66 ± 0.04
261 EDJ-MED-ee07cf00-5 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)CNC(=O)c4ccc(cc4)C#N −6.40 ± 0.09 4.66 ± 0.06
262 JIN-POS-6dc588a4-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2c3cccnc3on2 −6.4 ± 0.1 4.66 ± 0.09
263 SAM-UNK-2684b532-7 molecule CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2Cl −6.39 ± 0.09 4.66 ± 0.07
264 SAM-UNK-2684b532-13 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2Cl −6.4 ± 0.1 4.65 ± 0.08
265 TRY-UNI-714a760b-15 molecule Cc1c(cncc1NC(=O)C(C)c2cccc(c2)Cl)N −6.4 ± 0.1 4.65 ± 0.09
266 JOH-UNI-a38a7bdd-5 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)C4CC4F −6.4 ± 0.2 4.6 ± 0.2
267 MAK-UNK-f203cb68-12 molecule Cc1cc(ncc1NC(=O)C(C)c2cccc(c2)Cl)c3ccncc3NC(=O)C −6.4 ± 0.3 4.6 ± 0.2
268 DAR-DIA-076fb6ea-11 molecule CN(C)C/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.4 ± 0.3 4.6 ± 0.2
269 JIN-POS-6dc588a4-18 molecule COc1cccc2c1cncc2NC(=O)Cc3cccc(c3)Cl −6.4 ± 0.2 4.6 ± 0.1
270 DAR-DIA-56cf811e-5 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)/C=C/C(F)(F)F −6.3 ± 0.3 4.6 ± 0.2
271 MAT-POS-bb423b95-7 molecule CN(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.33 ± 0.09 4.61 ± 0.07
272 JAN-GHE-83b26c96-6 molecule CC(C)c1c(cncn1)NC(=O)C(C)c2cccc(c2)Cl −6.3 ± 0.1 4.61 ± 0.10
273 EDJ-MED-c8e7a002-3 molecule COc1ccc2c(c1)n[nH]c2NC(=O)Cc3cccc(c3)Cl −6.3 ± 0.2 4.6 ± 0.1
274 DAR-DIA-076fb6ea-12 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)/C=C/CN4CCCCC4 −6.3 ± 0.3 4.6 ± 0.2
275 DAR-DIA-076fb6ea-2 molecule Cc1ccncc1N(C(=O)Cc2cccc(c2)Cl)C(=O)C=C −6.3 ± 0.2 4.6 ± 0.2
276 MIC-UNK-fc94cdb5-1 molecule c1cc(cc(c1)Cl)CC(=O)NC2CC(=O)NC2=O −6.3 ± 0.2 4.6 ± 0.1
277 AGN-NEW-c7b24fe3-4 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2C#N −6.3 ± 0.1 4.60 ± 0.09
278 JAN-GHE-83b26c96-4 molecule Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl −6.3 ± 0.1 4.60 ± 0.09
279 MAT-POS-f7918075-8 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3 −6.31 ± 0.07 4.60 ± 0.05
280 EDG-MED-0da5ad92-13 molecule Cc1ccc(cn1)NC(=O)Cc2cccc(c2)Cl −6.3 ± 0.1 4.59 ± 0.10
281 MAT-POS-f7918075-6 molecule c1ccc2c(c1)c(cnn2)NC(=O)Cc3cccc(c3)Cl −6.28 ± 0.04 4.58 ± 0.03
282 MIC-UNK-67d4a29a-4 molecule CN(c1cncc2c1c(ccc2)OC)C(=O)Cc3cccc(c3)Cl −6.3 ± 0.2 4.6 ± 0.1
283 BAR-COM-ebf5acce-4 molecule Cc1ccncc1N(c2cccc(n2)N)C(=O)Cc3cccc(c3)Cl −6.3 ± 0.2 4.6 ± 0.1
284 TRY-UNI-2eddb1ff-5 molecule Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl −6.3 ± 0.1 4.57 ± 0.09
285 MAK-UNK-6ca90168-23 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C#N −6.26 ± 0.10 4.56 ± 0.07
286 DAR-DIA-56cf811e-4 molecule Cc1ccncc1N(C(=O)Cc2cccc(c2)Cl)C(=O)/C=C/C#N −6.2 ± 0.2 4.6 ± 0.2
287 MIC-UNK-d935700b-1 molecule Cc1c(cn[nH]c1=O)NC(=O)Cc2cccc(c2)Cl −6.2 ± 0.1 4.5 ± 0.1
288 PET-UNK-e8c7a26f-2 molecule C=CC(=O)N(c1cccnc1)C(=O)Cc2cccc(c2)Cl −6.2 ± 0.2 4.5 ± 0.1
289 SAD-SAT-1b030f84-3 molecule c1cc(cc(c1)Cl)C(=O)C(=O)Nc2cnccc2S(=O)(=O)N −6.2 ± 0.2 4.5 ± 0.1
290 JIN-POS-6dc588a4-3 molecule COc1ccncc1NC(=O)Cc2cccc(c2)Cl −6.21 ± 0.08 4.52 ± 0.06
291 EDJ-MED-c8e7a002-2 molecule COc1ccc2c(c1)c([nH]n2)NC(=O)Cc3cccc(c3)Cl −6.2 ± 0.2 4.5 ± 0.1
292 SAM-UNK-2684b532-5 molecule CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2C(F)F −6.2 ± 0.1 4.50 ± 0.08
293 ALP-POS-8b8a49e1-5 molecule c1cc(cc(c1)Cl)CC(=O)NC2CC(=O)NC2 −6.2 ± 0.1 4.5 ± 0.1
294 EDG-MED-0da5ad92-15 molecule Cc1ccnnc1NC(=O)Cc2cccc(c2)Cl −6.2 ± 0.1 4.48 ± 0.09
295 ADA-UNI-f8e79267-10 molecule CNCCOC(c1cccc(c1)Cl)C(=O)Nc2cccnc2 −6.2 ± 0.3 4.5 ± 0.2
296 EDJ-MED-6e43a462-5 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnc3n2ccnc3 −6.1 ± 0.2 4.5 ± 0.1
297 NAU-LAT-e1818702-8 molecule c1ccc(cc1)n2cnnc2NC(=O)Cc3cccc(c3)Cl −6.1 ± 0.2 4.5 ± 0.1
298 EDJ-MED-a364e151-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2OCCO3 −6.1 ± 0.1 4.46 ± 0.09
299 MAT-POS-bb423b95-6 molecule c1ccc2c(c1)c(c[nH]c2=O)NC(=O)Cc3cccc(c3)Cl −6.1 ± 0.1 4.4 ± 0.1
300 TRY-UNI-2eddb1ff-4 molecule Cc1ccncc1NC(=O)[C@@H](C)c2cccc(c2)Cl −6.1 ± 0.1 4.4 ± 0.1
Last updated 2021-11-12T06:11:06.748777+00:00
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