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: | 2020-08-18 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
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
MAT-POS-bb423b95-8
0.481
JOH-UNI-abfda500-5
0.481
TRY-UNI-714a760b-3
0.481
ANN-UNI-98d2bf15-3
0.481
JOH-UNI-abfda500-4
0.481
MAT-POS-bb423b95-1
0.475
MAK-UNK-6ca90168-23
0.474
TRY-UNI-714a760b-6
0.474
JAN-GHE-5a013bed-9
0.472
EDJ-MED-a364e151-3
0.469
SAM-UNK-2684b532-11
0.468
MAT-POS-bb423b95-5
0.468
ABI-SAT-4d06482b-2
0.468
EDG-MED-0da5ad92-21
0.467
MIC-UNK-50cce87d-3
0.463
MAT-POS-f7918075-3
0.458
MIC-UNK-08cd9c58-1
0.458
EDJ-MED-a364e151-2
0.458
ALP-POS-95b75b4d-5
0.457
MAT-POS-bb423b95-4
0.457
MAT-POS-bb423b95-9
0.457
MIC-UNK-50cce87d-2
0.457
ALP-POS-0c2c77e1-1
0.451
MAT-POS-bb423b95-3
0.451
SAM-UNK-2684b532-12
0.450
MIC-UNK-d935700b-1
0.450
EDG-MED-0da5ad92-16
0.447
MAT-POS-f7918075-5
0.446
MAT-POS-bb423b95-2
0.446
MIC-UNK-d935700b-2
0.446
MIC-UNK-50cce87d-1
0.446
ALP-POS-95b75b4d-7
0.444
EDJ-MED-c8e7a002-12
0.439
EDJ-MED-976da9a6-1
0.437
MIC-UNK-50cce87d-4
0.435
JOH-UNI-ee5ed7c8-1
0.432
JOH-UNI-3fc3434e-1
0.432
VLA-UCB-00f2c2b3-7
0.427
JOH-UNI-6fede743-3
0.427
MAT-POS-bb423b95-6
0.427
JOH-UNI-ee5ed7c8-3
0.425
JOH-UNI-3fc3434e-3
0.425
EDJ-MED-00c1612e-1
0.425
PET-UNK-8df914d1-1
0.425
EDG-MED-0da5ad92-17
0.425
EDG-MED-0da5ad92-12
0.423
EDG-MED-0da5ad92-14
0.423
MIC-UNK-66895286-1
0.421
EDG-MED-0da5ad92-2
0.421
JAN-GHE-5a013bed-8
0.421
AGN-NEW-c7b24fe3-1
0.420
MAT-POS-f7918075-6
0.417
EDJ-MED-50fe53e8-2
0.417
MAT-POS-e1b5ac6b-1
0.417
PET-UNK-8df914d1-5
0.415
JAN-GHE-5a013bed-6
0.413
MAK-UNK-ffc90da7-5
0.412
EDJ-MED-c8e7a002-16
0.412
JOH-UNI-6fede743-1
0.412
EDG-MED-0da5ad92-13
0.410
PET-UNK-8df914d1-4
0.410
AGN-NEW-c7b24fe3-4
0.407
AGN-NEW-c7b24fe3-5
0.407
MAT-POS-4211dce8-1
0.405
JAN-GHE-5a013bed-11
0.403
EDG-MED-0da5ad92-15
0.400
EDJ-MED-50fe53e8-1
0.400
JOH-UNI-ee5ed7c8-2
0.400
JOH-UNI-3fc3434e-2
0.400
MAT-POS-3cc264b0-1
0.400
MAK-UNK-ffc90da7-8
0.398
MIC-UNK-fc94cdb5-1
0.397
JOH-UNI-ee5ed7c8-4
0.396
JOH-UNI-3fc3434e-4
0.396
DAR-DIA-0cde14eb-33
0.396
NAU-LAT-a5c7d7cb-14
0.395
NAU-LAT-a5c7d7cb-10
0.393
EDJ-MED-c8e7a002-11
0.393
ALP-POS-3b848b35-3
0.393
MAK-UNK-ffc90da7-9
0.393
DAR-DIA-0cde14eb-32
0.391
NAU-LAT-e1818702-10
0.390
JAN-GHE-5a013bed-7
0.390
EDJ-MED-50fe53e8-3
0.388
EDJ-MED-49816e9b-3
0.388
MAK-UNK-ffc90da7-3
0.384
EDJ-MED-50fe53e8-4
0.384