Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1C(=O)Nc2ccccc21 |
| MW: | 300.07 |
| Fraction sp3: | 0.12 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 2.69 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-554-482 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-08-12 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
NAU-LAT-a5c7d7cb-13
1.000
ALP-POS-90e38439-1
1.000
NAU-LAT-a5c7d7cb-14
0.568
MIC-UNK-fc94cdb5-1
0.479
MAT-POS-500ca5bf-2
0.465
ALP-POS-90e38439-2
0.465
MIC-UNK-42806bd5-1
0.465
ALP-POS-8b8a49e1-6
0.455
MIC-UNK-42806bd5-2
0.438
ALP-POS-90e38439-3
0.438
ALP-POS-8b8a49e1-5
0.438
MIC-UNK-4c7b8ba7-1
0.434
ALP-POS-8b8a49e1-7
0.431
MAT-POS-0bc33984-1
0.429
ALP-POS-8b8a49e1-8
0.416
MIC-UNK-8373f97b-5
0.412
MIC-UNK-13557a72-1
0.408
MIC-UNK-8373f97b-4
0.407
MIC-UNK-8373f97b-2
0.388
MAT-POS-0bc33984-2
0.385
JOH-UNI-6fede743-3
0.378
MAT-POS-bb423b95-6
0.378
JAN-GHE-5a013bed-4
0.377
JAN-GHE-5a013bed-5
0.375
MAT-POS-4211dce8-1
0.373
MAT-POS-f7918075-7
0.372
MIC-UNK-b12b7f76-2
0.366
JAN-GHE-f4ca5a00-17
0.361
JAN-GHE-5a013bed-9
0.360
NAM-UNK-f7c77a48-3
0.360
ALP-POS-95b75b4d-6
0.354
JAN-GHE-f4ca5a00-12
0.354
NAU-LAT-e1818702-1
0.354
MAT-POS-e1b5ac6b-1
0.353
JOH-UNI-6fede743-4
0.353
MIC-UNK-66895286-1
0.351
JAN-GHE-5a013bed-11
0.351
PET-UNK-8df914d1-5
0.349
MIC-UNK-d935700b-2
0.349
JAN-GHE-5a013bed-10
0.346
VLA-UCB-00f2c2b3-7
0.345
JAN-GHE-f4ca5a00-14
0.345
EDJ-MED-c8e7a002-11
0.345
NAU-LAT-a5c7d7cb-10
0.345
ADA-UCB-6c2cb422-1
0.345
JAN-GHE-5a013bed-6
0.342
EDG-MED-0da5ad92-13
0.342
PET-UNK-8df914d1-4
0.342
NAM-UNK-f7c77a48-4
0.342
JAG-UCB-a3ef7265-15
0.342
EDG-MED-0da5ad92-21
0.342
ALP-POS-95b75b4d-5
0.341
MAT-POS-bb423b95-4
0.341
JAN-GHE-5a013bed-7
0.338
NAU-LAT-e1818702-10
0.338
EDJ-MED-49816e9b-3
0.338
EDG-MED-0da5ad92-14
0.338
EDJ-MED-50fe53e8-1
0.337
EDJ-MED-50fe53e8-4
0.337
EDJ-MED-a364e151-3
0.337
MAT-POS-3cc264b0-1
0.337
VLA-UCB-1dbca3b4-7
0.337
MAT-POS-450cb4f9-1
0.337
JOH-UNI-6fede743-1
0.333
MIC-UNK-d935700b-1
0.333
JAN-GHE-5a013bed-3
0.333
JAN-GHE-5a013bed-8
0.333
JAN-GHE-f4ca5a00-16
0.333
EDG-MED-0da5ad92-2
0.333
EDG-MED-0da5ad92-15
0.333
MAT-POS-f7918075-4
0.330
MIC-UNK-8971c93c-1
0.330
PET-UNK-e44ffd04-1
0.329
MAT-POS-bfb445d4-2
0.329
NAU-LAT-a5c7d7cb-12
0.329
ABI-SAT-4d06482b-2
0.329
JAN-GHE-5a013bed-1
0.329
JOH-UNI-ee5ed7c8-8
0.326
JOH-UNI-3fc3434e-8
0.326
EDJ-MED-c8e7a002-12
0.326
VLA-UCB-1dbca3b4-2
0.326
PET-UNK-8df914d1-2
0.326
JOH-UNI-abfda500-5
0.325
AGN-NEW-c7b24fe3-4
0.325
JOH-UNI-abfda500-4
0.325
ANN-UNI-98d2bf15-3
0.325
SAM-UNK-2684b532-13
0.325
NAU-LAT-e1818702-7
0.325
ALP-POS-95b75b4d-8
0.325
JAG-UCB-a3ef7265-17
0.325
EDG-MED-0da5ad92-16
0.325
EDJ-MED-49816e9b-2
0.325
EDJ-MED-50fe53e8-2
0.322
MAT-POS-f7918075-6
0.322
NAU-LAT-a5c7d7cb-11
0.322
NAU-LAT-e1818702-9
0.322
MAK-UNK-6ca90168-23
0.321
EDJ-MED-49816e9b-5
0.321
EDG-MED-0da5ad92-12
0.321
EDJ-MED-c8e7a002-10
0.318