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
PET-UNK-158bee2a-4
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NAU-LAT-e1818702-7
0.557
JAG-UCB-a3ef7265-17
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JAN-GHE-5a013bed-6
0.542
PET-UNK-158bee2a-2
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JAN-GHE-5a013bed-9
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VLA-UNK-411a133b-2
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PET-UNK-8df914d1-4
0.508
PET-UNK-158bee2a-3
0.508
MIC-UNK-66895286-1
0.500
JAN-GHE-5a013bed-11
0.500
EDG-MED-0da5ad92-2
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EDG-MED-0da5ad92-15
0.492
JAN-GHE-5a013bed-5
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VLA-UNK-411a133b-1
0.484
EDG-MED-0da5ad92-16
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JAG-UCB-a3ef7265-15
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EDJ-MED-49816e9b-2
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EDG-MED-0da5ad92-12
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EDJ-MED-49816e9b-5
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JAN-GHE-5a013bed-8
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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-0da5ad92-21
0.462
SAM-UNK-2684b532-13
0.462
ALP-POS-95b75b4d-8
0.462
EDG-MED-0da5ad92-13
0.462
EDJ-MED-c8e7a002-7
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ANN-UNI-98d2bf15-3
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AGN-NEW-c7b24fe3-5
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AGN-NEW-c7b24fe3-4
0.456
JOH-UNI-abfda500-5
0.456
VLA-UNK-4cf5aa07-1
0.456
PET-UNK-158bee2a-1
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EDJ-MED-49816e9b-3
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EDG-MED-0da5ad92-14
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ALP-POS-95b75b4d-6
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JIN-POS-6dc588a4-9
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MAK-UNK-6ca90168-23
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TRY-UNI-714a760b-6
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NAU-LAT-e1818702-8
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NAU-LAT-e1818702-9
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MAT-POS-f7918075-6
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EDJ-MED-50fe53e8-2
0.444
EDJ-MED-50fe53e8-1
0.444
PET-UNK-b1ef24dc-2
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MAT-POS-3cc264b0-1
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SAM-UNK-2684b532-11
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RUB-POS-1325a9ea-19
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JIN-POS-6dc588a4-3
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ABI-SAT-4d06482b-2
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EDJ-MED-c8e7a002-17
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EDJ-MED-076d6e64-1
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BEN-DND-02317c5c-8
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PET-UNK-e44ffd04-1
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NAU-LAT-a5c7d7cb-12
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JIN-POS-6dc588a4-8
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TRY-UNI-714a760b-3
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JOH-UNI-abfda500-4
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RUB-POS-1325a9ea-22
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EDG-MED-0da5ad92-17
0.435
RUB-POS-1325a9ea-17
0.431
MIC-UNK-51049f1a-6
0.431
AGN-NEW-c7b24fe3-1
0.429
VLA-UNK-4cf5aa07-2
0.429
EDJ-MED-c8e7a002-4
0.427
PET-UNK-e274cad4-6
0.425
PET-UNK-7f7e354d-7
0.425
MAT-POS-bb423b95-5
0.423
MIC-UNK-d935700b-1
0.423
JIN-POS-6dc588a4-5
0.423
PET-UNK-8df914d1-5
0.423
JIN-POS-6dc588a4-4
0.423
JAN-GHE-f4ca5a00-16
0.423
SAM-UNK-2684b532-12
0.423
EDJ-MED-c8e7a002-10
0.419
EDJ-MED-c8e7a002-8
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MAT-POS-199e2e7c-2
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JIN-POS-6dc588a4-16
0.419
RUB-POS-1325a9ea-11
0.419
RUB-POS-1325a9ea-18
0.419
PET-UNK-b1ef24dc-4
0.419
EDJ-MED-6e43a462-5
0.419
JAN-GHE-5a013bed-4
0.418
MAT-POS-bb423b95-6
0.417
EDJ-MED-b24713dc-2
0.417
EDJ-MED-c8e7a002-11
0.417
NAU-LAT-a5c7d7cb-10
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VLA-UCB-00f2c2b3-7
0.417
JIN-POS-6dc588a4-19
0.417
ADA-UCB-6c2cb422-1
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ALP-POS-3b848b35-3
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ALP-POS-95b75b4d-7
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