Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccc1-c1ccccc1 |
| MW: | 322.09 |
| Fraction sp3: | 0.05 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 4.58 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-553-713 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 40.8917363574677 |
| IC50 (µM) - RapidFire: | 25.1337812588461 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ADA-UCB-6c2cb422-1
ALP-POS-0c2c77e1-1
1.000
ALP-POS-95b75b4d-6
0.612
ALP-POS-95b75b4d-8
0.597
SAM-UNK-2684b532-13
0.597
JOH-UNI-abfda500-4
0.586
TRY-UNI-714a760b-6
0.580
ALP-POS-ddb41b15-7
0.573
SAM-UNK-2684b532-12
0.569
JIN-POS-6dc588a4-4
0.569
BAR-COM-0f94fc3d-40
0.566
JOH-UNI-abfda500-5
0.563
ANN-UNI-98d2bf15-3
0.563
MAK-UNK-6ca90168-23
0.556
JIN-POS-6dc588a4-3
0.548
SAM-UNK-2684b532-11
0.548
MAT-POS-bb423b95-5
0.548
RUB-POS-1325a9ea-19
0.548
ALP-POS-95b75b4d-7
0.541
ALP-POS-95b75b4d-5
0.533
MAT-POS-bb423b95-4
0.533
JIN-POS-6dc588a4-6
0.526
JAN-GHE-5a013bed-10
0.514
MAT-POS-bb423b95-1
0.513
EDJ-MED-3c65e9ce-3
0.500
MAT-POS-f7918075-5
0.500
MAT-POS-bb423b95-9
0.494
PET-UNK-8df914d1-3
0.493
JIN-POS-6dc588a4-22
0.487
ABI-SAT-4d06482b-2
0.486
ADA-UCB-6c2cb422-1
0.481
TRY-UNI-714a760b-3
0.480
EDG-MED-0da5ad92-14
0.479
JAN-GHE-5a013bed-8
0.479
EDG-MED-0da5ad92-2
0.479
BEN-DND-1e24cf73-1
0.474
MAT-POS-90fd5f68-22
0.470
MAT-POS-90fd5f68-40
0.469
PET-UNK-7f7e354d-7
0.468
PET-UNK-e274cad4-6
0.468
JIN-POS-6dc588a4-13
0.468
EDG-MED-0da5ad92-16
0.466
EDG-MED-0da5ad92-21
0.466
MAT-POS-90fd5f68-37
0.463
JIN-POS-6dc588a4-14
0.463
MIC-UNK-50cce87d-3
0.463
JIN-POS-6dc588a4-10
0.463
RUB-POS-1325a9ea-5
0.463
PET-UNK-b1ef24dc-3
0.463
MAT-POS-bb423b95-2
0.463
RUB-POS-1325a9ea-3
0.463
PET-UNK-b1ef24dc-4
0.463
MAT-POS-f7918075-3
0.457
EDJ-MED-a364e151-1
0.457
MAT-POS-f7918075-8
0.457
MIC-UNK-08cd9c58-1
0.457
RUB-POS-1325a9ea-8
0.457
EDJ-MED-6ab52e52-1
0.456
MIC-UNK-51049f1a-6
0.456
MIC-UNK-50cce87d-2
0.456
MAT-POS-90fd5f68-4
0.452
RUB-POS-1325a9ea-4
0.451
PET-UNK-e274cad4-1
0.451
MAT-POS-f7918075-7
0.451
RUB-POS-1325a9ea-1
0.451
RUB-POS-1325a9ea-14
0.451
JIN-POS-6dc588a4-18
0.451
JAN-GHE-5a013bed-9
0.451
PET-UNK-158bee2a-2
0.451
EDJ-MED-a364e151-3
0.450
RUB-POS-1325a9ea-12
0.450
RUB-POS-1325a9ea-13
0.450
PET-UNK-b1ef24dc-1
0.450
PET-UNK-b1ef24dc-2
0.450
MAT-POS-90fd5f68-38
0.446
MIC-UNK-f2576da4-1
0.446
MAT-POS-c20a539d-2
0.446
MIC-UNK-50cce87d-1
0.444
RUB-POS-1325a9ea-11
0.444
EDJ-MED-c5ca5386-1
0.444
MAT-POS-bb423b95-8
0.444
MAT-POS-199e2e7c-1
0.444
JIN-POS-6dc588a4-12
0.444
EDJ-MED-076d6e64-1
0.444
RUB-POS-1325a9ea-2
0.444
MAT-POS-90fd5f68-39
0.442
EDG-MED-0da5ad92-17
0.442
RUB-POS-1325a9ea-22
0.442
AGN-NEW-c7b24fe3-4
0.442
AGN-NEW-c7b24fe3-5
0.442
EDJ-MED-00c1612e-1
0.440
JOH-UNI-3fc3434e-3
0.440
PET-UNK-8df914d1-1
0.440
JOH-UNI-ee5ed7c8-3
0.440
MAT-POS-90fd5f68-19
0.440
EDJ-MED-a364e151-2
0.439
MIC-UNK-8971c93c-1
0.439
MAT-POS-f7918075-4
0.439
JIN-POS-6dc588a4-11
0.439
JIN-POS-6dc588a4-23
0.439
RUB-POS-1325a9ea-15
0.439