Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCC2 |
| MW: | 300.1 |
| Fraction sp3: | 0.29 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 3.8 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-564-346 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 1.84189968986135 |
| Order Status | |
| Ordered: | 2020-07-25 |
| Synthesis Location: | enamine |
| Shipped: | 2020-08-12 |
MAT-POS-14ad9fe9-1
MAT-POS-199e2e7c-1
0.859
DAR-DIA-0cde14eb-33
0.703
DAR-DIA-0cde14eb-32
0.693
DAR-DIA-0cde14eb-31
0.680
DAR-DIA-0cde14eb-34
0.671
DAR-DIA-0cde14eb-45
0.646
JIN-POS-6dc588a4-20
0.570
MAT-POS-14ad9fe9-1
0.570
EDJ-MED-976da9a6-2
0.570
EDJ-MED-976da9a6-1
0.550
MAT-POS-f7918075-7
0.532
RUB-POS-1325a9ea-1
0.532
JAN-GHE-5a013bed-10
0.521
PET-UNK-8df914d1-3
0.521
ALP-POS-95b75b4d-8
0.514
SAM-UNK-2684b532-13
0.514
ALP-POS-95b75b4d-6
0.507
JIN-POS-6dc588a4-12
0.506
TRY-UNI-714a760b-6
0.500
RUB-POS-1325a9ea-13
0.494
RUB-POS-1325a9ea-19
0.494
RUB-POS-1325a9ea-3
0.487
MIC-UNK-50cce87d-3
0.487
TRY-UNI-714a760b-3
0.487
JOH-UNI-abfda500-4
0.487
MAT-POS-f7918075-4
0.481
MIC-UNK-8971c93c-1
0.481
MIC-UNK-50cce87d-2
0.481
MAK-UNK-6ca90168-23
0.481
EDJ-MED-a364e151-3
0.475
JIN-POS-6dc588a4-3
0.474
JIN-POS-6dc588a4-4
0.474
SAM-UNK-2684b532-12
0.474
ABI-SAT-4d06482b-2
0.474
EDG-MED-0da5ad92-16
0.473
PET-UNK-6314f867-3
0.470
RUB-POS-1325a9ea-11
0.469
MAT-POS-bb423b95-8
0.469
RUB-POS-1325a9ea-2
0.469
MIC-UNK-50cce87d-1
0.469
RUB-POS-1325a9ea-5
0.469
ALP-POS-95b75b4d-7
0.468
ADA-UCB-6c2cb422-1
0.468
ANN-UNI-98d2bf15-3
0.468
JOH-UNI-abfda500-5
0.468
MAT-POS-f7918075-8
0.463
EDJ-MED-a364e151-2
0.463
MAT-POS-bb423b95-9
0.463
MAT-POS-bb423b95-1
0.463
MAT-POS-bb423b95-4
0.463
ALP-POS-95b75b4d-5
0.463
JAN-GHE-5a013bed-9
0.458
MIC-UNK-50cce87d-4
0.458
RUB-POS-1325a9ea-9
0.458
JIN-POS-6dc588a4-22
0.457
MAT-POS-bb423b95-3
0.457
ALP-POS-0c2c77e1-1
0.457
PET-UNK-e274cad4-6
0.457
JIN-POS-6dc588a4-6
0.457
JIN-POS-6dc588a4-13
0.457
RUB-POS-1325a9ea-12
0.457
SAM-UNK-2684b532-11
0.456
MAT-POS-bb423b95-5
0.456
EDG-MED-0da5ad92-21
0.453
JIN-POS-6dc588a4-14
0.451
MAT-POS-f7918075-5
0.451
MAT-POS-bb423b95-2
0.451
JIN-POS-6dc588a4-10
0.451
EDG-MED-0da5ad92-17
0.449
DAR-DIA-0cde14eb-37
0.448
DAR-DIA-0cde14eb-36
0.448
JOH-UNI-3fc3434e-3
0.447
JOH-UNI-ee5ed7c8-3
0.447
ALP-POS-e6e0c683-1
0.447
JAN-GHE-5a013bed-8
0.446
JIN-POS-6dc588a4-11
0.446
MIC-UNK-08cd9c58-1
0.446
MAT-POS-f7918075-3
0.446
RUB-POS-1325a9ea-15
0.446
PET-UNK-6314f867-2
0.442
PET-UNK-e274cad4-1
0.440
RUB-POS-1325a9ea-14
0.440
JIN-POS-6dc588a4-18
0.440
RUB-POS-1325a9ea-4
0.440
JOH-UNI-ee5ed7c8-1
0.437
JOH-UNI-3fc3434e-1
0.437
ALP-POS-93b3621f-2
0.433
VLA-UCB-00f2c2b3-7
0.432
DAR-DIA-0cde14eb-38
0.432
DAR-DIA-0cde14eb-35
0.432
EDJ-MED-00c1612e-1
0.430
PET-UNK-8df914d1-1
0.430
RUB-POS-1325a9ea-8
0.429
EDG-MED-0da5ad92-14
0.429
DAR-DIA-0cde14eb-41
0.429
EDG-MED-0da5ad92-12
0.429
DAR-DIA-0cde14eb-42
0.429
EDJ-MED-c8e7a002-12
0.427
EDG-MED-0da5ad92-2
0.427
AGN-NEW-c7b24fe3-1
0.425