Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CC(=O)N2 |
| MW: | 301.06 |
| Fraction sp3: | 0.13 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 71.09 |
| cLogP: | 2.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
ADA-UCB-6c2cb422-1
RUB-POS-1325a9ea-1
1.000
MAT-POS-14ad9fe9-1
0.603
MAT-POS-199e2e7c-1
0.538
EDJ-MED-a364e151-1
0.532
ALP-POS-95b75b4d-6
0.521
JAN-GHE-5a013bed-10
0.514
SAM-UNK-2684b532-13
0.507
ALP-POS-95b75b4d-8
0.507
EDJ-MED-976da9a6-2
0.506
ADA-UCB-6c2cb422-1
0.500
MIC-UNK-8971c93c-1
0.494
MAT-POS-f7918075-4
0.494
MAT-POS-f7918075-8
0.494
PET-UNK-8df914d1-3
0.493
RUB-POS-1325a9ea-13
0.487
MAT-POS-90fd5f68-38
0.482
MAT-POS-bb423b95-8
0.481
JIN-POS-6dc588a4-12
0.481
TRY-UNI-714a760b-3
0.481
JOH-UNI-abfda500-5
0.481
ANN-UNI-98d2bf15-3
0.481
JOH-UNI-abfda500-4
0.481
MAT-POS-90fd5f68-2
0.477
MAT-POS-90fd5f68-1
0.476
MIC-UNK-51049f1a-6
0.475
MAT-POS-bb423b95-1
0.475
MAK-UNK-6ca90168-23
0.474
TRY-UNI-714a760b-6
0.474
JAN-GHE-5a013bed-9
0.472
JIN-POS-6dc588a4-20
0.471
EDJ-MED-a364e151-3
0.469
RUB-POS-1325a9ea-12
0.469
PET-UNK-b1ef24dc-2
0.469
JIN-POS-6dc588a4-13
0.469
MAT-POS-bb423b95-5
0.468
SAM-UNK-2684b532-11
0.468
ABI-SAT-4d06482b-2
0.468
EDG-MED-0da5ad92-21
0.467
MAT-POS-90fd5f68-20
0.465
PET-UNK-6314f867-3
0.464
RUB-POS-1325a9ea-3
0.463
MIC-UNK-50cce87d-3
0.463
JIN-POS-6dc588a4-14
0.463
RUB-POS-1325a9ea-11
0.463
PET-UNK-b1ef24dc-4
0.463
JIN-POS-6dc588a4-10
0.463
PET-UNK-b1ef24dc-3
0.463
EDJ-MED-a364e151-2
0.458
MIC-UNK-08cd9c58-1
0.458
MAT-POS-f7918075-3
0.458
JIN-POS-6dc588a4-11
0.458
MAT-POS-bb423b95-4
0.457
MAT-POS-bb423b95-9
0.457
MIC-UNK-50cce87d-2
0.457
EDJ-MED-6ab52e52-1
0.457
ALP-POS-95b75b4d-5
0.457
MAT-POS-90fd5f68-8
0.456
MAT-POS-90fd5f68-3
0.455
EDJ-MED-239d8ca5-1
0.453
MAT-POS-c20a539d-4
0.453
MAT-POS-29385cc1-3
0.452
MAT-POS-c20a539d-6
0.452
PET-UNK-e274cad4-6
0.451
PET-UNK-7f7e354d-7
0.451
PET-UNK-b1ef24dc-1
0.451
JIN-POS-6dc588a4-22
0.451
ALP-POS-0c2c77e1-1
0.451
MAT-POS-bb423b95-3
0.451
MAT-POS-90fd5f68-26
0.451
JIN-POS-6dc588a4-4
0.450
SAM-UNK-2684b532-12
0.450
RUB-POS-1325a9ea-19
0.450
MIC-UNK-d935700b-1
0.450
JIN-POS-6dc588a4-3
0.450
EDG-MED-0da5ad92-16
0.447
MIC-UNK-f2576da4-1
0.447
MAT-POS-90fd5f68-37
0.447
MAT-POS-29385cc1-4
0.447
MIC-UNK-d935700b-2
0.446
MIC-UNK-50cce87d-1
0.446
MAT-POS-bb423b95-2
0.446
RUB-POS-1325a9ea-5
0.446
RUB-POS-1325a9ea-2
0.446
MAT-POS-f7918075-5
0.446
EDJ-MED-c5ca5386-1
0.446
ALP-POS-95b75b4d-7
0.444
MAT-POS-90fd5f68-19
0.442
MIC-UNK-7574fcc6-1
0.440
RUB-POS-1325a9ea-15
0.440
EDJ-MED-c8e7a002-12
0.439
EDJ-MED-239d8ca5-2
0.438
MIC-UNK-9dc9fcd1-1
0.438
MAT-POS-90fd5f68-17
0.438
EDJ-MED-976da9a6-1
0.437
MAT-POS-c0609ef7-1
0.437
MAT-POS-c20a539d-1
0.437
MAT-POS-c20a539d-5
0.437
EDJ-MED-c5ca5386-2
0.437
MAT-POS-90fd5f68-4
0.437
PET-UNK-6314f867-2
0.437