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 |
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
ALP-POS-95b75b4d-8
0.507
SAM-UNK-2684b532-13
0.507
EDJ-MED-976da9a6-2
0.506
ADA-UCB-6c2cb422-1
0.500
MAT-POS-f7918075-8
0.494
MIC-UNK-8971c93c-1
0.494
MAT-POS-f7918075-4
0.494
PET-UNK-8df914d1-3
0.493
RUB-POS-1325a9ea-13
0.487
JIN-POS-6dc588a4-12
0.481
MAT-POS-bb423b95-8
0.481
JOH-UNI-abfda500-4
0.481
TRY-UNI-714a760b-3
0.481
JOH-UNI-abfda500-5
0.481
ANN-UNI-98d2bf15-3
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
JIN-POS-6dc588a4-20
0.471
RUB-POS-1325a9ea-12
0.469
EDJ-MED-a364e151-3
0.469
JIN-POS-6dc588a4-13
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
PET-UNK-6314f867-3
0.464
MIC-UNK-50cce87d-3
0.463
RUB-POS-1325a9ea-11
0.463
JIN-POS-6dc588a4-14
0.463
RUB-POS-1325a9ea-3
0.463
JIN-POS-6dc588a4-10
0.463
MIC-UNK-08cd9c58-1
0.458
JIN-POS-6dc588a4-11
0.458
EDJ-MED-a364e151-2
0.458
MAT-POS-f7918075-3
0.458
ALP-POS-95b75b4d-5
0.457
MIC-UNK-50cce87d-2
0.457
MAT-POS-bb423b95-4
0.457
MAT-POS-bb423b95-9
0.457
MAT-POS-bb423b95-3
0.451
JIN-POS-6dc588a4-22
0.451
ALP-POS-0c2c77e1-1
0.451
SAM-UNK-2684b532-12
0.450
RUB-POS-1325a9ea-19
0.450
JIN-POS-6dc588a4-3
0.450
JIN-POS-6dc588a4-4
0.450
MIC-UNK-d935700b-1
0.450
EDG-MED-0da5ad92-16
0.447
MAT-POS-f7918075-5
0.446
MIC-UNK-d935700b-2
0.446
RUB-POS-1325a9ea-2
0.446
MIC-UNK-50cce87d-1
0.446
RUB-POS-1325a9ea-5
0.446
MAT-POS-bb423b95-2
0.446
ALP-POS-95b75b4d-7
0.444
RUB-POS-1325a9ea-15
0.440
EDJ-MED-c8e7a002-12
0.439
PET-UNK-6314f867-2
0.437
EDJ-MED-976da9a6-1
0.437
JIN-POS-6dc588a4-18
0.435
RUB-POS-1325a9ea-14
0.435
RUB-POS-1325a9ea-4
0.435
MIC-UNK-50cce87d-4
0.435
RUB-POS-1325a9ea-9
0.435
JIN-POS-6dc588a4-6
0.434
JOH-UNI-3fc3434e-1
0.432
JOH-UNI-ee5ed7c8-1
0.432
PET-UNK-f4e47ebd-1
0.432
JIN-POS-6dc588a4-19
0.427
VLA-UCB-00f2c2b3-7
0.427
JOH-UNI-6fede743-3
0.427
MAT-POS-bb423b95-6
0.427
PET-UNK-8df914d1-1
0.425
EDJ-MED-00c1612e-1
0.425
JOH-UNI-3fc3434e-3
0.425
JOH-UNI-ee5ed7c8-3
0.425
EDG-MED-0da5ad92-17
0.425
RUB-POS-1325a9ea-8
0.424
JIN-POS-6dc588a4-23
0.424
EDG-MED-0da5ad92-12
0.423
EDG-MED-0da5ad92-14
0.423
JIN-POS-6dc588a4-9
0.422
RUB-POS-1325a9ea-17
0.422
MIC-UNK-66895286-1
0.421
JAN-GHE-5a013bed-8
0.421
EDG-MED-0da5ad92-2
0.421
AGN-NEW-c7b24fe3-1
0.420
MAT-POS-f7918075-6
0.417
EDJ-MED-50fe53e8-2
0.417
ROB-UNI-daaf9793-1
0.417
MAT-POS-e1b5ac6b-1
0.417
PET-UNK-f4e47ebd-2
0.416