Molecule Details
| Molecular Properties | |
| SMILES: | COc1ccc2n[nH]c(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 315.08 |
| Fraction sp3: | 0.12 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 67.01 |
| cLogP: | 3.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-09-29 |
| Synthesis Location: | enamine |
| Shipped: | 2020-10-13 |
JAG-UCB-52b62a6f-1
EDJ-MED-c8e7a002-3
0.743
EDJ-MED-c8e7a002-10
0.566
EDJ-MED-c8e7a002-1
0.482
PET-UNK-8df914d1-1
0.482
EDJ-MED-00c1612e-1
0.482
EDJ-MED-c8e7a002-14
0.475
EDJ-MED-c8e7a002-13
0.475
JAN-GHE-5a013bed-9
0.458
EDG-MED-0da5ad92-21
0.453
JAN-GHE-5a013bed-11
0.446
JAG-UCB-52b62a6f-8
0.441
NAU-LAT-a5c7d7cb-10
0.432
EDJ-MED-c8e7a002-11
0.432
MIC-UNK-66895286-1
0.427
EDJ-MED-c8e7a002-5
0.420
MIC-UNK-d935700b-1
0.420
JAN-GHE-5a013bed-6
0.419
MAT-POS-0c8fa4a7-2
0.419
EDG-MED-0da5ad92-12
0.410
EDG-MED-0da5ad92-14
0.410
JAN-GHE-5a013bed-8
0.408
MIC-UNK-50cce87d-4
0.407
TRY-UNI-714a760b-6
0.405
EDG-MED-0da5ad92-15
0.405
JAN-GHE-5a013bed-10
0.403
EDJ-MED-c8e7a002-6
0.402
MAT-POS-53907a1c-1
0.402
EDJ-MED-c8e7a002-9
0.400
EDJ-MED-c8e7a002-16
0.400
EDJ-MED-7bb79bc5-1
0.400
EDG-MED-0da5ad92-18
0.400
ABI-SAT-4d06482b-2
0.400
VLA-UCB-00f2c2b3-7
0.398
SAM-UNK-2684b532-13
0.397
EDG-MED-0da5ad92-13
0.397
ALP-POS-95b75b4d-8
0.397
EDG-MED-0da5ad92-16
0.397
EDJ-MED-49816e9b-2
0.397
JAG-UCB-a3ef7265-15
0.397
NAU-LAT-e1818702-7
0.397
JAG-UCB-a3ef7265-17
0.397
PET-UNK-8df914d1-4
0.397
JAN-GHE-5a013bed-7
0.395
NAU-LAT-e1818702-10
0.395
EDJ-MED-49816e9b-3
0.392
EDJ-MED-49816e9b-5
0.392
EDG-MED-0da5ad92-2
0.390
EDJ-MED-50fe53e8-2
0.388
MAT-POS-f7918075-6
0.388
PET-UNK-8df914d1-3
0.388
MAT-POS-199e2e7c-2
0.384
JAN-GHE-5a013bed-4
0.380
EDJ-MED-c8e7a002-15
0.379
MAT-POS-f7918075-8
0.379
MIC-UNK-08cd9c58-1
0.379
MAT-POS-f7918075-3
0.379
EDG-MED-0da5ad92-17
0.378
TRY-UNI-714a760b-3
0.378
EDJ-MED-c8e7a002-12
0.376
ALP-POS-95b75b4d-6
0.375
EDJ-MED-97c1bf5c-2
0.374
NAU-LAT-a5c7d7cb-11
0.372
MAT-POS-3cc264b0-1
0.372
EDJ-MED-50fe53e8-1
0.372
EDJ-MED-97c1bf5c-1
0.370
MAT-POS-bb423b95-5
0.369
SAM-UNK-2684b532-12
0.369
MAT-POS-bb423b95-8
0.368
EDJ-MED-c8e7a002-17
0.368
MAT-POS-199e2e7c-1
0.368
MIC-UNK-d935700b-2
0.368
MIC-UNK-50cce87d-3
0.368
JOH-UNI-6fede743-1
0.368
ALP-POS-3b848b35-3
0.365
NAU-LAT-a5c7d7cb-12
0.365
JOH-UNI-6fede743-3
0.365
ADA-UCB-6c2cb422-1
0.365
MAT-POS-bb423b95-6
0.365
PET-UNK-e44ffd04-1
0.365
MAT-POS-f7918075-4
0.364
JOH-UNI-6fede743-2
0.364
ALP-POS-ddb41b15-9
0.364
EDJ-MED-a364e151-1
0.364
MIC-UNK-8971c93c-1
0.364
ANN-UNI-98d2bf15-3
0.361
JOH-UNI-abfda500-4
0.361
AGN-NEW-c7b24fe3-5
0.361
AGN-NEW-c7b24fe3-4
0.361
JOH-UNI-abfda500-5
0.361
MAT-POS-bb423b95-1
0.360
MAT-POS-4211dce8-1
0.360
MIC-UNK-50cce87d-2
0.360
EDJ-MED-50fe53e8-3
0.360
ALP-POS-95b75b4d-5
0.360
MAT-POS-bb423b95-4
0.360
MAT-POS-bb423b95-9
0.360
JAN-GHE-5a013bed-5
0.360
MAK-UNK-6ca90168-23
0.357
JAN-GHE-f4ca5a00-12
0.357
NAU-LAT-e1818702-1
0.357