Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCN2 |
| MW: | 301.1 |
| Fraction sp3: | 0.25 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.02 |
| cLogP: | 3.27 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 7.27197662949492 |
| IC50 (µM) - RapidFire: | 4.03950730516133 |
| Order Status | |
| Ordered: | 2020-09-29 |
| Synthesis Location: | enamine |
| Shipped: | 2020-12-02 |
MAT-POS-f7918075-7
0.603
RUB-POS-1325a9ea-1
0.603
MAT-POS-199e2e7c-1
0.597
EDJ-MED-a364e151-1
0.570
JIN-POS-6dc588a4-20
0.561
EDJ-MED-976da9a6-2
0.542
ALP-POS-95b75b4d-6
0.520
PET-UNK-8df914d1-3
0.513
TRY-UNI-714a760b-6
0.513
SAM-UNK-2684b532-13
0.507
ALP-POS-95b75b4d-8
0.507
JIN-POS-6dc588a4-12
0.500
MAT-POS-f7918075-8
0.494
MAK-UNK-6ca90168-23
0.494
JAN-GHE-5a013bed-10
0.493
MAT-POS-bb423b95-5
0.487
ABI-SAT-4d06482b-2
0.487
JIN-POS-6dc588a4-10
0.482
RUB-POS-1325a9ea-5
0.482
TRY-UNI-714a760b-3
0.481
MIC-UNK-08cd9c58-1
0.476
MAT-POS-f7918075-3
0.476
PET-UNK-e274cad4-6
0.470
RUB-POS-1325a9ea-13
0.470
RUB-POS-1325a9ea-19
0.469
JIN-POS-6dc588a4-3
0.469
EDG-MED-0da5ad92-21
0.468
EDG-MED-0da5ad92-16
0.468
MAT-POS-90fd5f68-38
0.465
ALP-POS-5de921e7-2
0.465
MAT-POS-f7918075-5
0.464
MAT-POS-bb423b95-2
0.464
RUB-POS-1325a9ea-3
0.464
MIC-UNK-50cce87d-3
0.464
RUB-POS-1325a9ea-11
0.464
ALP-POS-95b75b4d-7
0.463
JOH-UNI-abfda500-5
0.463
ANN-UNI-98d2bf15-3
0.463
EDG-MED-0da5ad92-17
0.463
JOH-UNI-abfda500-4
0.463
EDG-MED-0da5ad92-14
0.462
MAT-POS-90fd5f68-2
0.461
JAN-GHE-5a013bed-8
0.461
MAT-POS-90fd5f68-1
0.460
MAT-POS-f7918075-4
0.459
MIC-UNK-8971c93c-1
0.459
RUB-POS-1325a9ea-8
0.459
RUB-POS-1325a9ea-15
0.459
MAT-POS-bb423b95-9
0.458
MAT-POS-bb423b95-4
0.458
ALP-POS-95b75b4d-5
0.458
MIC-UNK-50cce87d-2
0.458
MAT-POS-bb423b95-1
0.458
EDJ-MED-6ab52e52-1
0.458
MAT-POS-90fd5f68-3
0.456
EDJ-MED-976da9a6-1
0.455
RUB-POS-1325a9ea-14
0.453
JIN-POS-6dc588a4-18
0.453
PET-UNK-e274cad4-1
0.453
JAN-GHE-5a013bed-9
0.453
EDJ-MED-a364e151-3
0.452
JIN-POS-6dc588a4-6
0.452
JIN-POS-6dc588a4-13
0.452
PET-UNK-b1ef24dc-2
0.452
RUB-POS-1325a9ea-12
0.452
PET-UNK-7f7e354d-7
0.452
JIN-POS-6dc588a4-4
0.451
SAM-UNK-2684b532-11
0.451
SAM-UNK-2684b532-12
0.451
MAT-POS-90fd5f68-20
0.449
PET-UNK-f4e47ebd-1
0.449
MAT-POS-29385cc1-4
0.448
MAT-POS-90fd5f68-37
0.448
MAT-POS-bb423b95-8
0.447
JIN-POS-6dc588a4-14
0.447
PET-UNK-b1ef24dc-4
0.447
ADA-UCB-6c2cb422-1
0.446
MAT-POS-90fd5f68-19
0.443
EDJ-MED-a364e151-2
0.442
EDG-MED-0da5ad92-2
0.442
MIC-UNK-51049f1a-6
0.440
MAT-POS-90fd5f68-21
0.440
AGN-NEW-c7b24fe3-1
0.439
MAT-POS-c20a539d-4
0.438
EDJ-MED-239d8ca5-1
0.438
EDG-MED-0da5ad92-15
0.438
MAT-POS-29385cc1-3
0.437
RUB-POS-1325a9ea-9
0.437
MAT-POS-c20a539d-6
0.437
MIC-UNK-50cce87d-4
0.437
RUB-POS-1325a9ea-4
0.437
MAT-POS-bb423b95-3
0.435
JIN-POS-6dc588a4-22
0.435
PET-UNK-b1ef24dc-1
0.435
ALP-POS-0c2c77e1-1
0.435
MIC-UNK-d935700b-1
0.434
PET-UNK-d899bab6-3
0.433
PET-UNK-f4e47ebd-2
0.433
PET-UNK-b38839dc-2
0.433
MIC-UNK-f2576da4-1
0.432