Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1nncs1 |
| MW: | 253.01 |
| Fraction sp3: | 0.1 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 2.37 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1079615644 |
| Enamine Extended REAL: | s_22____998706____3020518 |
| Mcule Ultimate: | DKVAXQGRMWRKTF-UHFFFAOYSA-N |
| MolPort: | MolPort-047-549-553 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-24 |
AAR-POS-d2a4d1df-1
NAU-LAT-e1818702-10
1.000
JAG-UCB-cedd89ab-3
0.630
JAG-UCB-a3ef7265-17
0.557
NAU-LAT-e1818702-7
0.557
JAN-GHE-5a013bed-6
0.542
JAN-GHE-5a013bed-9
0.517
VLA-UNK-411a133b-2
0.516
PET-UNK-8df914d1-4
0.508
JAN-GHE-5a013bed-11
0.500
MIC-UNK-66895286-1
0.500
EDG-MED-0da5ad92-2
0.500
EDG-MED-0da5ad92-15
0.492
JAN-GHE-5a013bed-5
0.492
EDJ-MED-49816e9b-2
0.484
EDG-MED-0da5ad92-16
0.484
JAG-UCB-a3ef7265-15
0.484
VLA-UNK-411a133b-1
0.484
EDJ-MED-49816e9b-5
0.477
EDG-MED-0da5ad92-12
0.477
JAN-GHE-5a013bed-8
0.476
NAU-LAT-e1818702-1
0.471
JAN-GHE-f4ca5a00-12
0.471
PET-UNK-8df914d1-3
0.470
JAN-GHE-5a013bed-1
0.469
JAN-GHE-5a013bed-10
0.469
JIN-POS-6dc588a4-22
0.465
EDG-MED-0da5ad92-18
0.463
EDG-MED-0da5ad92-13
0.462
SAM-UNK-2684b532-13
0.462
EDG-MED-0da5ad92-21
0.462
ALP-POS-95b75b4d-8
0.462
EDJ-MED-c8e7a002-7
0.458
VLA-UNK-4cf5aa07-1
0.456
AGN-NEW-c7b24fe3-5
0.456
AGN-NEW-c7b24fe3-4
0.456
JOH-UNI-abfda500-5
0.456
ANN-UNI-98d2bf15-3
0.456
ALP-POS-95b75b4d-6
0.455
EDJ-MED-49816e9b-3
0.455
EDG-MED-0da5ad92-14
0.455
JIN-POS-6dc588a4-9
0.451
MAK-UNK-6ca90168-23
0.449
TRY-UNI-714a760b-6
0.448
MAT-POS-f7918075-6
0.444
NAU-LAT-e1818702-9
0.444
EDJ-MED-50fe53e8-1
0.444
MAT-POS-3cc264b0-1
0.444
EDJ-MED-50fe53e8-2
0.444
NAU-LAT-e1818702-8
0.444
JIN-POS-6dc588a4-3
0.443
RUB-POS-1325a9ea-19
0.443
SAM-UNK-2684b532-11
0.443
ABI-SAT-4d06482b-2
0.441
EDJ-MED-c8e7a002-17
0.438
JIN-POS-6dc588a4-8
0.437
NAU-LAT-a5c7d7cb-12
0.437
PET-UNK-e44ffd04-1
0.437
BEN-DND-02317c5c-8
0.437
EDG-MED-0da5ad92-17
0.435
RUB-POS-1325a9ea-22
0.435
TRY-UNI-714a760b-3
0.435
JOH-UNI-abfda500-4
0.435
RUB-POS-1325a9ea-17
0.431
VLA-UNK-4cf5aa07-2
0.429
AGN-NEW-c7b24fe3-1
0.429
EDJ-MED-c8e7a002-4
0.427
PET-UNK-e274cad4-6
0.425
MIC-UNK-d935700b-1
0.423
SAM-UNK-2684b532-12
0.423
JIN-POS-6dc588a4-4
0.423
JIN-POS-6dc588a4-5
0.423
PET-UNK-8df914d1-5
0.423
JAN-GHE-f4ca5a00-16
0.423
MAT-POS-bb423b95-5
0.423
JIN-POS-6dc588a4-16
0.419
MAT-POS-199e2e7c-2
0.419
RUB-POS-1325a9ea-11
0.419
RUB-POS-1325a9ea-18
0.419
EDJ-MED-c8e7a002-8
0.419
EDJ-MED-c8e7a002-10
0.419
JAN-GHE-5a013bed-4
0.418
ALP-POS-95b75b4d-7
0.417
EDJ-MED-c8e7a002-11
0.417
NAU-LAT-a5c7d7cb-10
0.417
ADA-UCB-6c2cb422-1
0.417
VLA-UCB-00f2c2b3-7
0.417
JIN-POS-6dc588a4-19
0.417
MAT-POS-bb423b95-6
0.417
JOH-UNI-6fede743-3
0.417
ALP-POS-3b848b35-3
0.417
MAT-POS-f7918075-4
0.413
JIN-POS-6dc588a4-11
0.413
JOH-UNI-6fede743-2
0.413
EDJ-MED-c8e7a002-15
0.413
MIC-UNK-8971c93c-1
0.413
MAT-POS-4211dce8-1
0.411
PET-UNK-8df914d1-2
0.411
JIN-POS-6dc588a4-2
0.411
JIN-POS-6dc588a4-7
0.411
ALP-POS-95b75b4d-5
0.411