Molecule Details
| Molecular Properties | |
| SMILES: | Cn1cnnc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 250.06 |
| Fraction sp3: | 0.18 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.81 |
| cLogP: | 1.65 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine SCR: | Z1694793265 |
| Enamine REAL: | Z1694793265 |
| Enamine Extended REAL: | s_22____8803190____3020518 |
| Mcule: | MCULE-5681054831 |
| MolPort: | MolPort-029-936-746 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-30 |
AAR-POS-d2a4d1df-1
JAG-UCB-a3ef7265-17
1.000
VLA-UNK-411a133b-2
0.617
JAN-GHE-f4ca5a00-12
0.609
NAU-LAT-e1818702-1
0.609
JAG-UCB-a3ef7265-15
0.607
NAU-LAT-e1818702-9
0.574
NAU-LAT-e1818702-8
0.574
JAN-GHE-5a013bed-7
0.557
NAU-LAT-e1818702-10
0.557
PET-UNK-8df914d1-4
0.556
VLA-UNK-411a133b-1
0.556
JAG-UCB-a3ef7265-18
0.550
EDJ-MED-49816e9b-5
0.523
EDJ-MED-49816e9b-3
0.523
JAG-UCB-a3ef7265-2
0.522
EDG-MED-0da5ad92-15
0.515
EDJ-MED-c8e7a002-4
0.507
BEN-DND-02317c5c-8
0.500
PET-UNK-e44ffd04-1
0.500
NAU-LAT-a5c7d7cb-12
0.500
JAN-GHE-5a013bed-6
0.492
JAN-GHE-5a013bed-5
0.492
EDG-MED-0da5ad92-16
0.485
EDJ-MED-c8e7a002-7
0.479
EDJ-MED-076d6e64-1
0.479
MIC-UNK-66895286-1
0.477
JAN-GHE-5a013bed-11
0.477
PET-UNK-158bee2a-4
0.477
PET-UNK-8df914d1-3
0.471
JAN-GHE-5a013bed-9
0.469
PET-UNK-158bee2a-2
0.469
NAU-LAT-a5c7d7cb-11
0.466
EDJ-MED-50fe53e8-4
0.466
BEN-DND-02317c5c-9
0.466
PET-UNK-e274cad4-6
0.466
EDG-MED-0da5ad92-21
0.463
EDG-MED-0da5ad92-13
0.463
PET-UNK-158bee2a-3
0.463
EDJ-MED-49816e9b-2
0.463
EDG-MED-0da5ad92-12
0.456
EDG-MED-0da5ad92-14
0.456
EDG-MED-0da5ad92-2
0.455
JAN-GHE-5a013bed-8
0.455
MAT-POS-4211dce8-1
0.452
EDJ-MED-50fe53e8-3
0.452
TRY-UNI-714a760b-6
0.449
JAN-GHE-5a013bed-1
0.448
JAN-GHE-5a013bed-10
0.448
EDJ-MED-50fe53e8-1
0.446
MAT-POS-3cc264b0-1
0.446
BEN-DND-1e24cf73-3
0.446
MAT-POS-bb423b95-5
0.444
PET-UNK-8df914d1-5
0.444
JAN-GHE-f4ca5a00-16
0.444
JIN-POS-6dc588a4-3
0.444
BEN-DND-1e24cf73-7
0.443
EDG-MED-0da5ad92-18
0.443
ABI-SAT-4d06482b-2
0.443
EDJ-MED-c8e7a002-6
0.442
ALP-POS-95b75b4d-8
0.441
SAM-UNK-2684b532-13
0.441
EDJ-MED-c8e7a002-17
0.440
EDJ-MED-c8e7a002-8
0.440
EDJ-MED-b24713dc-2
0.438
ANN-UNI-98d2bf15-3
0.437
JOH-UNI-abfda500-4
0.437
RUB-POS-1325a9ea-22
0.437
EDG-MED-0da5ad92-17
0.437
TRY-UNI-714a760b-3
0.437
JOH-UNI-abfda500-5
0.437
ALP-POS-95b75b4d-6
0.435
RUB-POS-1325a9ea-15
0.434
BEN-DND-1e24cf73-1
0.432
EDJ-MED-b24713dc-4
0.429
PET-UNK-e274cad4-1
0.429
RUB-POS-1325a9ea-14
0.429
PET-UNK-b1ef24dc-1
0.427
NAU-LAT-e1818702-2
0.427
EDJ-MED-50fe53e8-2
0.427
JIN-POS-6dc588a4-6
0.427
JIN-POS-6dc588a4-17
0.427
MAT-POS-f7918075-6
0.427
EDJ-MED-6e43a462-7
0.427
EDJ-MED-97c1bf5c-2
0.425
MIC-UNK-d935700b-1
0.425
RUB-POS-1325a9ea-19
0.425
BEN-DND-1e24cf73-2
0.423
MIC-UNK-f2576da4-1
0.423
EDJ-MED-6e43a462-4
0.421
EDJ-MED-6e43a462-5
0.421
RUB-POS-1325a9ea-11
0.421
EDJ-MED-6e43a462-6
0.421
JAN-GHE-5a013bed-4
0.420
EDJ-MED-7bb79bc5-1
0.420
EDJ-MED-97c1bf5c-1
0.420
JIN-POS-6dc588a4-8
0.419
ALP-POS-8b8a49e1-7
0.418
AGN-NEW-c7b24fe3-4
0.417
VLA-UNK-4cf5aa07-1
0.417
PET-UNK-158bee2a-1
0.417