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
MAT-POS-14ad9fe9-1
0.570
EDJ-MED-976da9a6-2
0.570
EDJ-MED-976da9a6-1
0.550
MAT-POS-f7918075-7
0.532
JAN-GHE-5a013bed-10
0.521
PET-UNK-8df914d1-3
0.521
SAM-UNK-2684b532-13
0.514
ALP-POS-95b75b4d-8
0.514
ALP-POS-95b75b4d-6
0.507
TRY-UNI-714a760b-6
0.500
MIC-UNK-50cce87d-3
0.487
TRY-UNI-714a760b-3
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
SAM-UNK-2684b532-12
0.474
ABI-SAT-4d06482b-2
0.474
EDG-MED-0da5ad92-16
0.473
MIC-UNK-50cce87d-1
0.469
MAT-POS-bb423b95-8
0.469
ADA-UCB-6c2cb422-1
0.468
ALP-POS-95b75b4d-7
0.468
ANN-UNI-98d2bf15-3
0.468
EDJ-MED-a364e151-2
0.463
MAT-POS-f7918075-8
0.463
MAT-POS-bb423b95-9
0.463
MAT-POS-bb423b95-1
0.463
ALP-POS-95b75b4d-5
0.463
MAT-POS-bb423b95-4
0.463
JAN-GHE-5a013bed-9
0.458
MIC-UNK-50cce87d-4
0.458
MAT-POS-bb423b95-3
0.457
ALP-POS-0c2c77e1-1
0.457
MAT-POS-bb423b95-5
0.456
SAM-UNK-2684b532-11
0.456
EDG-MED-0da5ad92-21
0.453
MAT-POS-bb423b95-2
0.451
MAT-POS-f7918075-5
0.451
EDG-MED-0da5ad92-17
0.449
DAR-DIA-0cde14eb-36
0.448
DAR-DIA-0cde14eb-37
0.448
JAN-GHE-5a013bed-8
0.446
MAT-POS-f7918075-3
0.446
MIC-UNK-08cd9c58-1
0.446
VLA-UCB-00f2c2b3-7
0.432
DAR-DIA-0cde14eb-35
0.432
DAR-DIA-0cde14eb-38
0.432
EDJ-MED-00c1612e-1
0.430
PET-UNK-8df914d1-1
0.430
DAR-DIA-0cde14eb-41
0.429
DAR-DIA-0cde14eb-42
0.429
EDG-MED-0da5ad92-12
0.429
EDG-MED-0da5ad92-14
0.429
EDJ-MED-c8e7a002-12
0.427
EDG-MED-0da5ad92-2
0.427
AGN-NEW-c7b24fe3-1
0.425
EDG-MED-0da5ad92-15
0.423
DAR-DIA-0cde14eb-39
0.422
EDJ-MED-50fe53e8-1
0.422
MAT-POS-3cc264b0-1
0.422
MIC-UNK-d935700b-1
0.420
PET-UNK-8df914d1-5
0.420
JAN-GHE-5a013bed-6
0.419
DAR-DIA-0cde14eb-40
0.418
MIC-UNK-d935700b-2
0.417
MAK-UNK-ffc90da7-5
0.417
PET-UNK-8df914d1-4
0.416
DAR-DIA-0cde14eb-44
0.413
AGN-NEW-c7b24fe3-4
0.412
AGN-NEW-c7b24fe3-5
0.412
EDJ-MED-49816e9b-3
0.410
MIC-UNK-66895286-1
0.408
MAT-POS-f7918075-6
0.405
MAT-POS-e1b5ac6b-1
0.405
EDJ-MED-50fe53e8-2
0.405
JOH-UNI-6fede743-1
0.400
DAR-DIA-0cde14eb-43
0.400
EDJ-MED-c8e7a002-16
0.400
EDG-MED-0da5ad92-13
0.397
JAG-UCB-a3ef7265-17
0.397
NAU-LAT-e1818702-7
0.397
EDJ-MED-49816e9b-2
0.397
NAU-LAT-e1818702-10
0.395
JAN-GHE-5a013bed-7
0.395
JAN-GHE-5a013bed-11
0.390
MAK-UNK-ffc90da7-8
0.388
MIC-UNK-67d4a29a-3
0.386
MAT-POS-199e2e7c-2
0.384
EDG-MED-0da5ad92-18
0.383
MAT-POS-bb423b95-6
0.381
JOH-UNI-6fede743-3
0.381
ALP-POS-3b848b35-3
0.381