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
JIN-POS-6dc588a4-5
0.521
EDJ-MED-c8e7a002-15
0.506
MAT-POS-3cc264b0-1
0.500
EDJ-MED-50fe53e8-1
0.500
MAT-POS-199e2e7c-2
0.494
JIN-POS-6dc588a4-8
0.493
JIN-POS-6dc588a4-7
0.487
NAU-LAT-a5c7d7cb-11
0.481
MAT-POS-e1b5ac6b-1
0.481
ROB-UNI-daaf9793-1
0.481
VLA-UCB-00f2c2b3-7
0.474
PET-UNK-158bee2a-1
0.473
VLA-UNK-4cf5aa07-1
0.473
JAN-GHE-5a013bed-9
0.464
EDJ-MED-c8e7a002-6
0.457
JIN-POS-6dc588a4-16
0.456
EDJ-MED-c8e7a002-10
0.456
RUB-POS-1325a9ea-18
0.456
ADA-UCB-6c2cb422-1
0.455
MAT-POS-bb423b95-6
0.455
JIN-POS-6dc588a4-19
0.455
JOH-UNI-6fede743-3
0.455
JAN-GHE-5a013bed-11
0.451
JIN-POS-6dc588a4-23
0.450
JIN-POS-6dc588a4-2
0.449
VLA-UNK-4cf5aa07-2
0.447
EDG-MED-0da5ad92-15
0.446
JOH-UNI-6fede743-4
0.443
EDJ-MED-c8e7a002-13
0.443
EDJ-MED-c8e7a002-5
0.440
EDJ-MED-c8e7a002-3
0.439
VLA-UNK-411a133b-1
0.438
EDG-MED-0da5ad92-21
0.438
JOH-UNI-6fede743-2
0.432
EDJ-MED-c8e7a002-2
0.432
JAN-GHE-5a013bed-8
0.431
EDG-MED-0da5ad92-2
0.431
MIC-UNK-66895286-1
0.431
RUB-POS-1325a9ea-17
0.430
EDJ-MED-50fe53e8-3
0.430
EDJ-MED-c8e7a002-12
0.430
JAG-UCB-52b62a6f-17
0.427
JOH-UNI-3fc3434e-8
0.427
JOH-UNI-ee5ed7c8-8
0.427
DAR-DIA-2964957d-3
0.425
MAT-POS-f7918075-6
0.425
EDJ-MED-c8e7a002-14
0.425
RUB-POS-1325a9ea-13
0.425
EDJ-MED-50fe53e8-2
0.425
VLA-UNK-411a133b-2
0.425
JAN-GHE-5a013bed-10
0.425
MIC-UNK-d935700b-1
0.423
JAN-GHE-5a013bed-6
0.423
PET-UNK-158bee2a-2
0.423
JIN-POS-6dc588a4-21
0.420
JOH-UNI-6fede743-1
0.420
JIN-POS-6dc588a4-24
0.420
JIN-POS-6dc588a4-12
0.420
ALP-POS-95b75b4d-8
0.419
SAM-UNK-2684b532-13
0.419
NAU-LAT-e1818702-10
0.417
JAN-GHE-5a013bed-7
0.417
EDG-MED-0da5ad92-12
0.413
ALP-POS-95b75b4d-6
0.413
EDJ-MED-49816e9b-3
0.413
EDJ-MED-49816e9b-5
0.413
MAT-POS-4211dce8-1
0.412
MAT-POS-bb423b95-1
0.412
PET-UNK-158bee2a-4
0.411
TRY-UNI-714a760b-6
0.408
RUB-POS-1325a9ea-12
0.407
JOH-UNI-3fc3434e-11
0.407
JOH-UNI-ee5ed7c8-11
0.407
JIN-POS-6dc588a4-4
0.405
SAM-UNK-2684b532-11
0.405
MAT-POS-bb423b95-5
0.405
SAM-UNK-2684b532-12
0.405
EDG-MED-0da5ad92-18
0.403
JIN-POS-6dc588a4-15
0.402
MAT-POS-f7918075-5
0.402
JIN-POS-6dc588a4-14
0.402
MIC-UNK-d935700b-2
0.402
EDJ-MED-c8e7a002-8
0.402
JAN-GHE-5a013bed-5
0.400
PET-UNK-8df914d1-4
0.400
NAU-LAT-e1818702-7
0.400
ALP-POS-3b848b35-3
0.400
EDG-MED-0da5ad92-13
0.400
PET-UNK-158bee2a-3
0.400
JAG-UCB-a3ef7265-15
0.400
EDJ-MED-49816e9b-2
0.400
EDG-MED-0da5ad92-16
0.400
ALP-POS-95b75b4d-7
0.400
JAG-UCB-a3ef7265-17
0.400
EDJ-MED-c8e7a002-1
0.400
MAT-POS-f7918075-4
0.398
MIC-UNK-8971c93c-1
0.398