Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cccc2cn[nH]c12 |
| MW: | 285.07 |
| Fraction sp3: | 0.07 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 57.78 |
| cLogP: | 3.4 |
| 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
EDG-MED-0da5ad92-21
0.559
VLA-UCB-00f2c2b3-7
0.548
MIC-UNK-d935700b-1
0.534
MIC-UNK-d935700b-2
0.526
JAN-GHE-5a013bed-10
0.522
ALP-POS-95b75b4d-8
0.493
SAM-UNK-2684b532-13
0.493
ANN-UNI-98d2bf15-3
0.486
ALP-POS-95b75b4d-6
0.486
EDG-MED-0da5ad92-14
0.486
MIC-UNK-66895286-1
0.486
PET-UNK-8df914d1-3
0.479
TRY-UNI-714a760b-6
0.479
SAM-UNK-2684b532-11
0.474
MAT-POS-bb423b95-5
0.474
SAM-UNK-2684b532-12
0.474
ABI-SAT-4d06482b-2
0.473
EDG-MED-0da5ad92-16
0.472
ADA-UCB-6c2cb422-1
0.468
TRY-UNI-714a760b-3
0.467
EDG-MED-0da5ad92-17
0.467
MAT-POS-f7918075-4
0.463
MIC-UNK-8971c93c-1
0.463
MAT-POS-f7918075-8
0.463
MIC-UNK-50cce87d-2
0.462
MAT-POS-bb423b95-1
0.462
MAT-POS-bb423b95-9
0.462
MAK-UNK-6ca90168-23
0.461
JAN-GHE-5a013bed-9
0.457
MIC-UNK-50cce87d-1
0.450
MIC-UNK-50cce87d-3
0.450
MAT-POS-bb423b95-2
0.450
MAT-POS-bb423b95-8
0.450
MAT-POS-f7918075-5
0.450
ALP-POS-95b75b4d-7
0.449
AGN-NEW-c7b24fe3-5
0.447
AGN-NEW-c7b24fe3-4
0.447
EDG-MED-0da5ad92-2
0.444
JAN-GHE-5a013bed-11
0.444
ALP-POS-95b75b4d-5
0.443
MAT-POS-bb423b95-4
0.443
AGN-NEW-c7b24fe3-1
0.442
MAT-POS-f7918075-7
0.439
MIC-UNK-50cce87d-4
0.439
EDJ-MED-50fe53e8-2
0.438
MAT-POS-bb423b95-3
0.438
MAT-POS-f7918075-6
0.438
ALP-POS-0c2c77e1-1
0.438
EDJ-MED-a364e151-3
0.438
JAN-GHE-5a013bed-6
0.437
MAT-POS-199e2e7c-1
0.432
MAT-POS-199e2e7c-2
0.432
NAU-LAT-a5c7d7cb-10
0.430
EDJ-MED-c8e7a002-11
0.430
JAG-UCB-52b62a6f-13
0.429
EDJ-MED-00c1612e-1
0.429
PET-UNK-8df914d1-1
0.429
MIC-UNK-08cd9c58-1
0.427
EDJ-MED-a364e151-2
0.427
MAT-POS-f7918075-3
0.427
EDJ-MED-a364e151-1
0.427
JAN-GHE-5a013bed-8
0.425
MAT-POS-14ad9fe9-1
0.424
EDJ-MED-976da9a6-1
0.424
EDJ-MED-976da9a6-2
0.424
MAT-POS-3cc264b0-1
0.420
EDJ-MED-50fe53e8-1
0.420
MAT-POS-e1b5ac6b-1
0.420
EDJ-MED-c8e7a002-16
0.415
JOH-UNI-6fede743-1
0.415
PET-UNK-8df914d1-4
0.413
EDJ-MED-49816e9b-2
0.413
EDG-MED-0da5ad92-13
0.413
ALP-POS-3b848b35-3
0.412
JOH-UNI-6fede743-3
0.412
MAT-POS-bb423b95-6
0.412
NAU-LAT-e1818702-10
0.411
JAN-GHE-5a013bed-7
0.411
EDG-MED-0da5ad92-12
0.408
EDJ-MED-49816e9b-3
0.408
JOH-UNI-6fede743-4
0.402
EDJ-MED-c8e7a002-14
0.402
EDJ-MED-c8e7a002-9
0.398
EDG-MED-0da5ad92-18
0.397
JAG-UCB-a3ef7265-15
0.395
JAG-UCB-a3ef7265-17
0.395
NAU-LAT-e1818702-7
0.395
JAN-GHE-5a013bed-4
0.395
JOH-UNI-6fede743-2
0.393
PET-UNK-8df914d1-2
0.390
MAT-POS-4211dce8-1
0.390
EDJ-MED-49816e9b-5
0.390
EDJ-MED-c8e7a002-5
0.386
EDJ-MED-c8e7a002-13
0.386
EDJ-MED-50fe53e8-4
0.386
EDG-MED-0da5ad92-15
0.385
PET-UNK-8df914d1-5
0.383
EDJ-MED-c8e7a002-10
0.381
JOH-UNI-6fede743-5
0.379
NAU-LAT-a5c7d7cb-12
0.378