Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccccc12 |
| MW: | 285.07 |
| Fraction sp3: | 0.07 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 57.78 |
| cLogP: | 3.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-013-399-940 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-09-29 |
| Synthesis Location: | enamine |
| Shipped: | 2020-10-28 |
JAG-UCB-52b62a6f-1
EDJ-MED-c8e7a002-11
1.000
EDJ-MED-c8e7a002-9
0.643
EDJ-MED-c8e7a002-16
0.643
EDJ-MED-c8e7a002-15
0.506
EDJ-MED-50fe53e8-1
0.500
MAT-POS-3cc264b0-1
0.500
MAT-POS-199e2e7c-2
0.494
NAU-LAT-a5c7d7cb-11
0.481
MAT-POS-e1b5ac6b-1
0.481
VLA-UCB-00f2c2b3-7
0.474
JAN-GHE-5a013bed-9
0.464
EDJ-MED-c8e7a002-6
0.457
EDJ-MED-c8e7a002-10
0.456
JOH-UNI-6fede743-3
0.455
MAT-POS-bb423b95-6
0.455
ADA-UCB-6c2cb422-1
0.455
JAN-GHE-5a013bed-11
0.451
EDG-MED-0da5ad92-15
0.446
EDJ-MED-c8e7a002-13
0.443
JOH-UNI-6fede743-4
0.443
EDJ-MED-c8e7a002-5
0.440
EDJ-MED-c8e7a002-3
0.439
EDG-MED-0da5ad92-21
0.438
EDJ-MED-c8e7a002-2
0.432
JOH-UNI-6fede743-2
0.432
EDG-MED-0da5ad92-2
0.431
MIC-UNK-66895286-1
0.431
JAN-GHE-5a013bed-8
0.431
EDJ-MED-c8e7a002-12
0.430
EDJ-MED-50fe53e8-3
0.430
JAG-UCB-52b62a6f-17
0.427
JOH-UNI-ee5ed7c8-8
0.427
JOH-UNI-3fc3434e-8
0.427
MAT-POS-f7918075-6
0.425
DAR-DIA-2964957d-3
0.425
EDJ-MED-c8e7a002-14
0.425
EDJ-MED-50fe53e8-2
0.425
JAN-GHE-5a013bed-10
0.425
MIC-UNK-d935700b-1
0.423
JAN-GHE-5a013bed-6
0.423
JOH-UNI-6fede743-1
0.420
SAM-UNK-2684b532-13
0.419
ALP-POS-95b75b4d-8
0.419
JAN-GHE-5a013bed-7
0.417
NAU-LAT-e1818702-10
0.417
EDJ-MED-49816e9b-5
0.413
EDG-MED-0da5ad92-12
0.413
EDJ-MED-49816e9b-3
0.413
ALP-POS-95b75b4d-6
0.413
MAT-POS-bb423b95-1
0.412
MAT-POS-4211dce8-1
0.412
TRY-UNI-714a760b-6
0.408
JOH-UNI-ee5ed7c8-11
0.407
JOH-UNI-3fc3434e-11
0.407
MAT-POS-bb423b95-5
0.405
SAM-UNK-2684b532-11
0.405
SAM-UNK-2684b532-12
0.405
EDG-MED-0da5ad92-18
0.403
MIC-UNK-d935700b-2
0.402
EDJ-MED-c8e7a002-8
0.402
MAT-POS-f7918075-5
0.402
ALP-POS-3b848b35-3
0.400
ALP-POS-95b75b4d-7
0.400
JAN-GHE-5a013bed-5
0.400
EDG-MED-0da5ad92-13
0.400
JAG-UCB-a3ef7265-15
0.400
JAG-UCB-a3ef7265-17
0.400
EDJ-MED-c8e7a002-1
0.400
NAU-LAT-e1818702-7
0.400
EDJ-MED-49816e9b-2
0.400
EDG-MED-0da5ad92-16
0.400
PET-UNK-8df914d1-4
0.400
MAT-POS-f7918075-4
0.398
MIC-UNK-8971c93c-1
0.398
JOH-UNI-abfda500-5
0.397
ANN-UNI-98d2bf15-3
0.397
JOH-UNI-abfda500-4
0.397
MAT-POS-bb423b95-9
0.395
ALP-POS-95b75b4d-5
0.395
MAT-POS-bb423b95-4
0.395
EDG-MED-0da5ad92-14
0.395
MAT-POS-f7918075-7
0.393
MAK-UNK-6ca90168-23
0.392
MAT-POS-bb423b95-3
0.390
ALP-POS-0c2c77e1-1
0.390
PET-UNK-8df914d1-3
0.390
PET-UNK-8df914d1-5
0.388
MAT-POS-199e2e7c-1
0.386
MAT-POS-bb423b95-8
0.386
MIC-UNK-50cce87d-3
0.386
ABI-SAT-4d06482b-2
0.385
PET-UNK-e44ffd04-1
0.383
NAU-LAT-a5c7d7cb-12
0.383
JAN-GHE-5a013bed-4
0.382
EDJ-MED-a364e151-1
0.381
MIC-UNK-08cd9c58-1
0.381
MAT-POS-f7918075-3
0.381
ALP-POS-a3de0cb1-3
0.380
TRY-UNI-714a760b-3
0.380
AGN-NEW-c7b24fe3-4
0.380