Compounds

Showing 101 through 200 of 321
Rank Compound SMILES ΔG / kcal M-1 pIC50
101 PET-UNK-14142a25-10 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.2 ± 0.1 6.72 ± 0.09
102 EDJ-MED-cc48ee33-7 molecule Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.2 ± 0.2 6.7 ± 0.2
103 MAT-POS-50a80394-2 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −9.2 ± 0.3 6.7 ± 0.2
104 BEN-BAS-c2bc0d80-7 molecule CN1C(=O)N(C(=O)C12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 −9.18 ± 0.08 6.69 ± 0.06
105 PET-UNK-aa57768f-3 molecule C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.2 ± 0.1 6.68 ± 0.07
106 PET-UNK-77d5678a-3 molecule COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.17 ± 0.09 6.68 ± 0.07
107 ALP-POS-ecbed2ba-6 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −9.2 ± 0.2 6.7 ± 0.2
108 MAT-POS-576f7758-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.1 ± 0.1 6.66 ± 0.10
109 MAT-POS-853c0ffa-20 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl −9.1 ± 0.3 6.7 ± 0.2
110 MAT-POS-983b399a-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −9.14 ± 0.06 6.66 ± 0.04
111 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 −9.1 ± 0.4 6.7 ± 0.3
112 PET-UNK-94036022-10 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −9.1 ± 0.2 6.6 ± 0.2
113 MAT-POS-e48723dc-2 molecule CNC(=O)C1(CC1)N2C[C@@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −9.1 ± 0.1 6.63 ± 0.09
114 EDJ-MED-a12e3a20-1 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.1 ± 0.3 6.6 ± 0.2
115 BEN-BAS-c2bc0d80-6 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −9.09 ± 0.05 6.62 ± 0.04
116 MAT-POS-853c0ffa-14 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl −9.1 ± 0.2 6.6 ± 0.2
117 VLA-UCB-50c39ae8-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −9.07 ± 0.04 6.61 ± 0.03
118 MAT-POS-40ad851a-3 molecule CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.1 ± 0.8 6.6 ± 0.6
119 EDJ-MED-b6c6ee2b-7 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl −9.1 ± 0.1 6.60 ± 0.09
120 VLA-UNK-56836b69-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O −9.1 ± 0.1 6.60 ± 0.08
121 VLA-UCB-05e51b3f-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CCOc5c4cc(cc5)Cl −9.05 ± 0.06 6.59 ± 0.04
122 MAT-POS-94643566-1 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −9.05 ± 0.05 6.59 ± 0.04
123 VLA-UNK-61877630-3 molecule CNC(=O)CN1C([C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F −9.1 ± 0.1 6.59 ± 0.10
124 EDJ-MED-b6c6ee2b-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −9.0 ± 0.1 6.59 ± 0.09
125 VLA-UNK-3a43cd95-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)F)Cl)NC3=O −9.04 ± 0.08 6.58 ± 0.06
126 EDG-MED-b1ef7fe3-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −9.0 ± 0.2 6.6 ± 0.1
127 MAT-POS-38eb6498-2 molecule CNC(=O)c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.0 ± 0.3 6.6 ± 0.2
128 JOH-MSK-949975c8-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N(C3=O)CC7CCC(=O)NC7 −9.0 ± 0.3 6.6 ± 0.2
129 ALP-POS-ecbed2ba-22 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N −9.0 ± 0.3 6.6 ± 0.2
130 MIK-ENA-5d9157e9-2 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.0 ± 0.4 6.6 ± 0.3
131 EDJ-MED-fed7ac0b-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN3)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.0 ± 0.3 6.6 ± 0.2
132 PET-UNK-aa57768f-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −9.0 ± 0.1 6.56 ± 0.08
133 LUO-POS-9931618f-2 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.0 ± 0.1 6.6 ± 0.1
134 MAT-POS-50a80394-6 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −9.0 ± 0.2 6.6 ± 0.1
135 DAR-DIA-6be260fc-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCNc5c4cc(cc5)Cl −8.99 ± 0.08 6.55 ± 0.06
136 EDJ-MED-9f4ac58c-3 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.0 ± 0.6 6.6 ± 0.4
137 EDJ-MED-b6c6ee2b-4 molecule c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.0 ± 0.4 6.5 ± 0.3
138 PET-UNK-14142a25-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.0 ± 0.1 6.54 ± 0.09
139 EDG-MED-b1ef7fe3-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)Cl)c5cc(ccc5C1=O)Cl −9.0 ± 0.1 6.54 ± 0.08
140 MIK-ENA-794411b8-1 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −9.0 ± 0.1 6.53 ± 0.10
141 EDJ-MED-7d88f880-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)S(=N)(=O)C)c5cc(ccc5C1=O)Cl −9.0 ± 0.1 6.53 ± 0.08
142 VLA-UNK-61877630-6 molecule CNC(=O)CN1C([C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F −9.0 ± 0.1 6.52 ± 0.10
143 ALP-POS-477dc5b7-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −8.95 ± 0.07 6.52 ± 0.05
144 ALP-POS-ecbed2ba-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −9.0 ± 0.3 6.5 ± 0.2
145 MAT-POS-50a80394-1 molecule CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 −8.9 ± 0.4 6.5 ± 0.3
146 EDJ-MED-ee81482e-2 molecule CN1CC(C1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.9 ± 0.5 6.5 ± 0.4
147 MAT-POS-40ad851a-2 molecule CCN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.9 ± 0.7 6.5 ± 0.5
148 EDJ-MED-8bb691af-8 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.9 ± 0.1 6.49 ± 0.09
149 ALP-POS-ecbed2ba-19 molecule CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −8.9 ± 0.3 6.5 ± 0.2
150 EDJ-MED-5cd3920d-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl −8.9 ± 0.1 6.5 ± 0.1
151 EDJ-MED-fed7ac0b-4 molecule CNC(=O)CN1CC2(C=NN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.9 ± 0.1 6.47 ± 0.09
152 EDJ-MED-fed7ac0b-2 molecule CNC(=O)C1(CC1)N2CC3(CNN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.9 ± 0.1 6.46 ± 0.10
153 ALP-POS-ecbed2ba-18 molecule CCN(C)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −8.9 ± 0.2 6.4 ± 0.2
154 EDG-MED-b1ef7fe3-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −8.8 ± 0.1 6.44 ± 0.08
155 EDJ-MED-98c0a822-2 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −8.8 ± 0.3 6.4 ± 0.2
156 MAT-POS-853c0ffa-21 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl −8.8 ± 0.2 6.4 ± 0.2
157 DAR-DIA-0f7b7cd9-8 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C(=O)S3 −8.82 ± 0.08 6.43 ± 0.06
158 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 −8.8 ± 0.3 6.4 ± 0.2
159 VLA-UNK-61877630-7 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N −8.8 ± 0.3 6.4 ± 0.2
160 ALP-POS-ecbed2ba-13 molecule CC(C)(CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N −8.8 ± 0.3 6.4 ± 0.2
161 EDJ-MED-976a33d5-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −8.8 ± 0.2 6.4 ± 0.1
162 EDJ-MED-a12e3a20-2 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 −8.8 ± 0.1 6.39 ± 0.09
163 EDJ-MED-159244ea-1 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CCOc5c4cc(cc5)Cl −8.75 ± 0.09 6.38 ± 0.06
164 PET-UNK-aa57768f-9 molecule C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.8 ± 0.1 6.37 ± 0.09
165 PET-UNK-94036022-9 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.7 ± 0.3 6.4 ± 0.2
166 VLA-UNK-56836b69-5 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O −8.7 ± 0.1 6.35 ± 0.10
167 MIK-ENA-5d9157e9-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.7 ± 0.4 6.3 ± 0.3
168 VLA-UNK-f702bf1c-3 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6nc[nH]n6 −8.7 ± 0.2 6.3 ± 0.1
169 MAT-POS-ec6d90b7-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.64 ± 0.06 6.29 ± 0.04
170 MAT-POS-90505e2b-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)OC3=O −8.63 ± 0.06 6.29 ± 0.05
171 MAT-POS-50a80394-5 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −8.6 ± 0.2 6.3 ± 0.2
172 EDJ-MED-fed7ac0b-1 molecule CNC(=O)CN1CC2(CNN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −8.6 ± 0.1 6.26 ± 0.09
173 PET-UNK-94036022-11 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −8.6 ± 0.3 6.3 ± 0.2
174 MAT-POS-ec6d90b7-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)OC3=O −8.58 ± 0.06 6.25 ± 0.04
175 ALP-POS-ecbed2ba-3 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −8.6 ± 0.2 6.2 ± 0.2
176 EDJ-MED-98c0a822-4 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.6 ± 0.1 6.24 ± 0.10
177 EDJ-MED-468565e0-1 molecule c1cc2cncc(c2cc1OCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −8.6 ± 0.5 6.2 ± 0.4
178 MAT-POS-853c0ffa-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl −8.5 ± 0.1 6.23 ± 0.09
179 MAT-POS-40ad851a-4 molecule CN(C)CCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.5 ± 0.5 6.2 ± 0.4
180 DAR-DIA-0f7b7cd9-9 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CCOc5c4cc(cc5)Cl −8.53 ± 0.08 6.22 ± 0.06
181 MAT-POS-853c0ffa-13 molecule c1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.5 ± 0.3 6.2 ± 0.2
182 MAT-POS-96396902-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −8.5 ± 0.1 6.21 ± 0.10
183 EDJ-MED-98c0a822-1 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −8.5 ± 0.6 6.2 ± 0.5
184 EDJ-MED-7d88f880-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=N)(=O)C)c6cc(ccc6C2=O)Cl −8.5 ± 0.1 6.16 ± 0.09
185 MAT-POS-1d5ab790-3 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl −8.4 ± 0.1 6.15 ± 0.09
186 PET-UNK-94036022-3 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −8.4 ± 0.2 6.2 ± 0.2
187 EDJ-MED-fd8ed875-5 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=CN(C2=O)c4cncc5c4cccc5)F −8.4 ± 0.1 6.14 ± 0.09
188 EDG-MED-b1ef7fe3-3 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl −8.4 ± 0.1 6.14 ± 0.09
189 EDJ-MED-fd8ed875-6 molecule CNC(=O)C1(CC1)N2CC3(c4cc(ccc4C2=O)Cl)C(=CN(C3=O)c5cncc6c5cccc6)F −8.4 ± 0.1 6.14 ± 0.10
190 MAT-POS-1bed62cf-1 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.4 ± 0.3 6.1 ± 0.2
191 EDJ-MED-7587a9ee-3 molecule CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −8.4 ± 0.2 6.1 ± 0.1
192 MAT-POS-e48723dc-1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.4 ± 0.1 6.1 ± 0.1
193 MAT-POS-983b399a-3 molecule c1ccc2c(c1)cncc2N3CC4(CCOc5c4cc(cc5)Cl)CC3=O −8.39 ± 0.08 6.11 ± 0.06
194 EDJ-MED-fd8ed875-4 molecule CNC(=O)C1(CC1)N2CC3(C=CN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −8.3 ± 0.1 6.07 ± 0.09
195 MAT-POS-38eb6498-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −8.3 ± 0.5 6.1 ± 0.3
196 VLA-UNK-56836b69-3 molecule CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 −8.3 ± 0.1 6.04 ± 0.09
197 PET-UNK-7e9559de-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −8.3 ± 0.1 6.0 ± 0.1
198 PET-UNK-94036022-14 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl −8.3 ± 0.3 6.0 ± 0.2
199 PET-UNK-aa57768f-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −8.23 ± 0.09 6.00 ± 0.06
200 PET-UNK-aa57768f-2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −8.21 ± 0.09 5.98 ± 0.07
Last updated 2022-01-14T23:53:18.753406+00:00
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