Molecule Details
| Molecular Properties | |
| SMILES: | N#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 271.707 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.78 |
| cLogP: | 2.78788 |
| Covalent Warhead: | ✔️ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-479-850 |
| Order Status | |
| Ordered: | 2020-03-31 |
| Synthesis Location: | enamine |
| Shipped: | 2020-05-13 |
AAR-POS-d2a4d1df-11
AGN-NEW-c7b24fe3-5
0.738
AGN-NEW-c7b24fe3-3
0.698
EDG-MED-0da5ad92-14
0.609
AGN-NEW-c7b24fe3-1
0.597
JIN-POS-6dc588a4-24
0.556
MAK-UNK-6ca90168-23
0.551
AGN-NEW-c7b24fe3-6
0.507
SAM-UNK-2684b532-13
0.500
ALP-POS-95b75b4d-8
0.500
MAT-POS-bb423b95-2
0.493
ALP-POS-95b75b4d-6
0.493
MAT-POS-f7918075-3
0.487
MIC-UNK-08cd9c58-1
0.487
TRY-UNI-714a760b-6
0.486
JAN-GHE-5a013bed-10
0.485
JOH-UNI-ee5ed7c8-8
0.481
JOH-UNI-3fc3434e-8
0.481
ABI-SAT-4d06482b-2
0.479
EDG-MED-0da5ad92-21
0.478
EDG-MED-0da5ad92-13
0.478
EDG-MED-0da5ad92-16
0.478
PET-UNK-6314f867-3
0.474
ALP-POS-95b75b4d-7
0.473
ANN-UNI-98d2bf15-3
0.472
JOH-UNI-abfda500-4
0.472
JOH-UNI-abfda500-5
0.472
EDG-MED-0da5ad92-17
0.472
PET-UNK-158bee2a-4
0.471
EDG-MED-0da5ad92-2
0.471
JAN-GHE-5a013bed-8
0.471
RUB-POS-1325a9ea-8
0.468
RUB-POS-1325a9ea-17
0.467
PET-UNK-8df914d1-3
0.465
PET-UNK-158bee2a-2
0.463
PET-UNK-6314f867-2
0.463
MAT-POS-c20a539d-5
0.463
MAT-POS-bb423b95-5
0.459
JIN-POS-6dc588a4-4
0.459
SAM-UNK-2684b532-12
0.459
JIN-POS-6dc588a4-3
0.459
RUB-POS-1325a9ea-19
0.459
SAM-UNK-2684b532-11
0.459
EDJ-MED-49816e9b-2
0.457
JAN-GHE-5a013bed-7
0.456
NAU-LAT-e1818702-10
0.456
JIN-POS-6dc588a4-10
0.455
VLA-UCB-00f2c2b3-7
0.453
TRY-UNI-714a760b-3
0.452
JAN-GHE-5a013bed-11
0.449
EDJ-MED-c8e7a002-12
0.447
MAT-POS-bb423b95-1
0.447
ALP-POS-95b75b4d-5
0.447
JIN-POS-6dc588a4-2
0.447
JIN-POS-6dc588a4-9
0.447
MAT-POS-bb423b95-4
0.447
ALP-POS-0c2c77e1-1
0.442
RUB-POS-1325a9ea-12
0.442
JIN-POS-6dc588a4-6
0.442
EDJ-MED-c8e7a002-14
0.442
PET-UNK-b1ef24dc-2
0.442
MAT-POS-bb423b95-3
0.442
JAN-GHE-5a013bed-9
0.441
JAN-GHE-5a013bed-6
0.441
MIC-UNK-d935700b-1
0.440
EDG-MED-0da5ad92-18
0.438
JIN-POS-6dc588a4-15
0.436
MAT-POS-f7918075-5
0.436
RUB-POS-1325a9ea-3
0.436
JOH-UNI-6fede743-1
0.436
RUB-POS-1325a9ea-11
0.436
EDJ-MED-6e43a462-4
0.436
EDJ-MED-076d6e64-1
0.436
JIN-POS-6dc588a4-14
0.436
MIC-UNK-50cce87d-3
0.436
JOH-UNI-6fede743-3
0.434
ADA-UCB-6c2cb422-1
0.434
JIN-POS-6dc588a4-19
0.434
MAT-POS-bb423b95-6
0.434
MAT-POS-f7918075-8
0.430
JIN-POS-6dc588a4-23
0.430
MAT-POS-f7918075-4
0.430
MIC-UNK-8971c93c-1
0.430
MAT-POS-4211dce8-1
0.429
MIC-UNK-66895286-1
0.429
MIC-UNK-50cce87d-2
0.429
MIC-UNK-51049f1a-6
0.429
MAT-POS-bb423b95-9
0.429
EDJ-MED-6ab52e52-1
0.429
MAT-POS-14ad9fe9-1
0.427
EDG-MED-0da5ad92-15
0.425
RUB-POS-1325a9ea-13
0.423
MAT-POS-f7918075-6
0.423
JIN-POS-6dc588a4-13
0.423
JIN-POS-6dc588a4-22
0.423
PET-UNK-e274cad4-6
0.423
EDJ-MED-6e43a462-7
0.423
EDJ-MED-50fe53e8-2
0.423
EDJ-MED-a364e151-3
0.423
PET-UNK-b1ef24dc-1
0.423
PET-UNK-7f7e354d-7
0.423