Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccncc12 |
| MW: | 286.06 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 70.67 |
| cLogP: | 2.79 |
| 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
NAU-LAT-a5c7d7cb-10
0.643
EDJ-MED-c8e7a002-11
0.643
EDJ-MED-c8e7a002-9
0.616
MAT-POS-199e2e7c-2
0.573
EDJ-MED-c8e7a002-15
0.526
JIN-POS-6dc588a4-16
0.513
MAT-POS-f7918075-5
0.494
JAN-GHE-5a013bed-8
0.493
JAN-GHE-5a013bed-9
0.486
SAM-UNK-2684b532-13
0.479
ALP-POS-95b75b4d-8
0.479
ALP-POS-95b75b4d-6
0.473
EDG-MED-0da5ad92-2
0.472
MAT-POS-bb423b95-1
0.468
TRY-UNI-714a760b-6
0.467
EDJ-MED-50fe53e8-1
0.463
MAT-POS-3cc264b0-1
0.463
SAM-UNK-2684b532-12
0.462
JIN-POS-6dc588a4-4
0.462
VLA-UCB-00f2c2b3-7
0.456
JOH-UNI-abfda500-4
0.455
ANN-UNI-98d2bf15-3
0.455
JOH-UNI-abfda500-5
0.455
JAN-GHE-5a013bed-11
0.452
JIN-POS-6dc588a4-2
0.450
MAK-UNK-6ca90168-23
0.449
EDG-MED-0da5ad92-15
0.447
JAN-GHE-5a013bed-10
0.446
RUB-POS-1325a9ea-13
0.444
SAM-UNK-2684b532-11
0.443
MAT-POS-bb423b95-5
0.443
RUB-POS-1325a9ea-19
0.443
JIN-POS-6dc588a4-3
0.443
EDJ-MED-c8e7a002-6
0.440
EDG-MED-0da5ad92-21
0.440
ALP-POS-95b75b4d-7
0.438
EDG-MED-0da5ad92-12
0.434
MIC-UNK-8971c93c-1
0.434
MAT-POS-f7918075-4
0.434
MIC-UNK-66895286-1
0.432
MAT-POS-bb423b95-9
0.432
ALP-POS-95b75b4d-5
0.432
MAT-POS-bb423b95-4
0.432
PET-UNK-8df914d1-3
0.429
ALP-POS-0c2c77e1-1
0.427
RUB-POS-1325a9ea-12
0.427
MAT-POS-bb423b95-3
0.427
JIN-POS-6dc588a4-6
0.427
JAN-GHE-5a013bed-6
0.425
PET-UNK-158bee2a-2
0.425
EDJ-MED-6e43a462-6
0.422
JIN-POS-6dc588a4-12
0.422
PET-UNK-8df914d1-4
0.421
ADA-UCB-6c2cb422-1
0.420
JIN-POS-6dc588a4-8
0.420
JAG-UCB-52b62a6f-16
0.419
TRY-UNI-714a760b-3
0.418
JIN-POS-6dc588a4-7
0.415
EDJ-MED-c8e7a002-12
0.415
EDJ-MED-50fe53e8-3
0.415
MAT-POS-14ad9fe9-1
0.414
MAT-POS-f7918075-7
0.412
RUB-POS-1325a9ea-4
0.412
RUB-POS-1325a9ea-1
0.412
EDJ-MED-c8e7a002-13
0.410
NAU-LAT-a5c7d7cb-11
0.410
JIN-POS-6dc588a4-22
0.410
EDJ-MED-c8e7a002-14
0.410
EDJ-MED-6e43a462-7
0.410
JIN-POS-6dc588a4-13
0.410
EDJ-MED-c8e7a002-5
0.409
VLA-UNK-411a133b-2
0.408
PET-UNK-8df914d1-5
0.407
MIC-UNK-d935700b-1
0.407
JIN-POS-6dc588a4-5
0.407
ABI-SAT-4d06482b-2
0.405
MAT-POS-bb423b95-8
0.405
MAT-POS-199e2e7c-1
0.405
MAT-POS-bb423b95-2
0.405
JIN-POS-6dc588a4-14
0.405
EDJ-MED-c8e7a002-10
0.405
RUB-POS-1325a9ea-18
0.405
JIN-POS-6dc588a4-15
0.405
RUB-POS-1325a9ea-5
0.405
EDJ-MED-6e43a462-5
0.405
EDJ-MED-49816e9b-2
0.403
NAU-LAT-e1818702-7
0.403
EDG-MED-0da5ad92-13
0.403
JAG-UCB-a3ef7265-15
0.403
JAG-UCB-a3ef7265-17
0.403
EDG-MED-0da5ad92-16
0.403
PET-UNK-158bee2a-3
0.403
VLA-UNK-411a133b-1
0.403
EDJ-MED-a364e151-1
0.400
MAT-POS-f7918075-3
0.400
MIC-UNK-08cd9c58-1
0.400
NAU-LAT-e1818702-10
0.400
JAN-GHE-5a013bed-7
0.400
RUB-POS-1325a9ea-15
0.400
EDJ-MED-c8e7a002-2
0.400