Molecule Details
| Molecular Properties | |
| SMILES: | COc1cccc(C(NC(=O)Cc2cccc(Cl)c2)c2nc3ccccc3[nH]2)c1 |
| MW: | 405.12 |
| Fraction sp3: | 0.13 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 6 |
| TPSA: | 67.01 |
| cLogP: | 4.67 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2020-07-12 |
| Synthesis Location: | wuxi |
| Shipped: | 2020-08-19 |
BEN-DND-1e24cf73-6
0.386
NAU-LAT-a5c7d7cb-10
0.379
EDJ-MED-c8e7a002-11
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EDJ-MED-c8e7a002-3
0.370
EDJ-MED-c8e7a002-2
0.364
BEN-DND-1e24cf73-7
0.359
EDJ-MED-c8e7a002-16
0.354
ALP-POS-ddb41b15-8
0.353
EDJ-MED-c8e7a002-1
0.353
MAT-POS-bfb445d4-2
0.351
JIN-POS-6dc588a4-7
0.347
MAR-TRE-92684b97-77
0.340
JIN-POS-6dc588a4-5
0.340
EDJ-MED-c8e7a002-9
0.340
JAN-GHE-5a013bed-3
0.340
PET-UNK-8df914d1-1
0.340
EDJ-MED-00c1612e-1
0.340
ALP-POS-3b848b35-3
0.337
JIN-POS-6dc588a4-23
0.337
MAR-TRE-4f781e27-20
0.337
MAT-POS-c20a539d-1
0.337
VLA-UNK-dc1d9354-1
0.333
AAR-UNI-c25c2f1e-57
0.333
JAN-GHE-5a013bed-9
0.333
ROB-UNI-daaf9793-1
0.330
MAT-POS-e1b5ac6b-1
0.330
EDJ-MED-6e43a462-2
0.327
JAN-GHE-5a013bed-2
0.327
JIN-POS-6dc588a4-3
0.327
EDG-MED-0da5ad92-15
0.326
ALP-POS-3fc1724e-8
0.325
EDJ-MED-6e43a462-1
0.324
EDJ-MED-6e43a462-3
0.324
JAN-GHE-5a013bed-1
0.323
VLA-UNK-411a133b-2
0.323
VLA-UNK-4cf5aa07-1
0.320
PET-UNK-158bee2a-1
0.320
VLA-UNK-411a133b-1
0.319
BEN-DND-1e24cf73-4
0.318
MAT-POS-0c8fa4a7-2
0.317
EDJ-MED-c8e7a002-6
0.317
MAR-TRE-66ac689e-98
0.316
VLA-UNK-4cf5aa07-2
0.316
ALP-POS-8ed8d9ec-3
0.316
EDJ-MED-49816e9b-5
0.316
JAN-GHE-5a013bed-5
0.315
JIN-POS-6dc588a4-21
0.314
MAT-POS-bb423b95-5
0.313
MIC-UNK-66895286-1
0.312
JAN-GHE-5a013bed-8
0.312
JAN-GHE-5a013bed-11
0.312
EDG-MED-0da5ad92-2
0.312
MIC-UNK-67d4a29a-4
0.311
MAR-TRE-92684b97-12
0.311
JAN-GHE-f4ca5a00-17
0.310
VLA-UCB-00f2c2b3-7
0.310
ALP-UNI-ed5cdfd2-1
0.309
EDJ-MED-97c1bf5c-2
0.308
RUB-POS-1325a9ea-9
0.308
MIC-UNK-50cce87d-4
0.308
JIN-POS-6dc588a4-18
0.308
EDJ-MED-c8e7a002-12
0.307
BAR-COM-ebf5acce-5
0.306
PET-UNK-12d8d43f-2
0.306
EDJ-MED-7bb79bc5-1
0.306
MAT-POS-29385cc1-2
0.306
PET-UNK-8df914d1-4
0.305
ALP-POS-95b75b4d-8
0.305
EDG-MED-0da5ad92-21
0.305
SAM-UNK-2684b532-13
0.305
JAN-GHE-5a013bed-4
0.305
MAT-POS-c20a539d-2
0.305
MAT-POS-53907a1c-1
0.305
PET-UNK-158bee2a-2
0.304
NAU-LAT-a5c7d7cb-11
0.304
MAT-POS-f7918075-6
0.304
EDJ-MED-50fe53e8-1
0.304
EDJ-MED-c8e7a002-13
0.304
MAT-POS-3cc264b0-1
0.304
EDJ-MED-50fe53e8-2
0.304
MAT-POS-29385cc1-1
0.303
PET-UNK-b38839dc-1
0.303
EDG-MED-0da5ad92-12
0.302
EDJ-MED-49816e9b-3
0.302
JAN-GHE-5a013bed-7
0.301
NAU-LAT-e1818702-10
0.301
MAT-POS-f7918075-5
0.301
MAT-POS-199e2e7c-2
0.301
ALP-POS-ddb41b15-4
0.300
MAR-TRE-799db12b-19
0.299
PET-UNK-8df914d1-3
0.299
TRY-UNI-714a760b-6
0.299
MAT-POS-0bc33984-2
0.299
MAT-POS-f7918075-4
0.298
EDJ-MED-c8e7a002-15
0.298
MAT-POS-bb423b95-7
0.298
JOH-UNI-6fede743-2
0.298
MAT-POS-3b92565d-13
0.298
MIC-UNK-8971c93c-1
0.298
PET-UNK-158bee2a-4
0.298