Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnccn1 |
| MW: | 247.05 |
| Fraction sp3: | 0.08 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 2.31 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1696955513 |
| Enamine Extended REAL: | s_11____158040____3020516 |
| Mcule: | MCULE-2075621746 |
| Mcule Ultimate: | DZGGQOBILZZEJW-UHFFFAOYSA-N |
| MolPort: | MolPort-047-552-788 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
ALE-HEI-f28a35b5-9
EDG-MED-0da5ad92-2
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ALP-POS-95b75b4d-8
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JAN-GHE-5a013bed-9
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TRY-UNI-714a760b-6
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JOH-UNI-abfda500-4
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JAN-GHE-5a013bed-6
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PET-UNK-158bee2a-2
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JAN-GHE-5a013bed-10
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MAT-POS-bb423b95-1
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MAT-POS-bb423b95-5
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JIN-POS-6dc588a4-4
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JIN-POS-6dc588a4-10
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JAN-GHE-5a013bed-11
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AGN-NEW-c7b24fe3-4
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MAT-POS-f7918075-3
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RUB-POS-1325a9ea-8
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JIN-POS-6dc588a4-2
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AGN-NEW-c7b24fe3-1
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VLA-UNK-411a133b-2
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MAT-POS-14ad9fe9-1
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EDJ-MED-6e43a462-7
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EDJ-MED-50fe53e8-4
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JAG-UCB-a3ef7265-17
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MAT-POS-199e2e7c-1
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MAT-POS-199e2e7c-2
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RUB-POS-1325a9ea-11
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ADA-UCB-6c2cb422-1
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ALP-POS-3b848b35-3
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VLA-UNK-4cf5aa07-1
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PET-UNK-158bee2a-1
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EDG-MED-0da5ad92-1
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JAN-GHE-83b26c96-15
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EDJ-MED-49816e9b-5
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EDJ-MED-00c1612e-1
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EDJ-MED-a364e151-1
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MAT-POS-f7918075-8
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MAT-POS-f7918075-4
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JIN-POS-6dc588a4-23
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RUB-POS-1325a9ea-15
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EDJ-MED-c8e7a002-15
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EDJ-MED-a364e151-2
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EDJ-MED-6e43a462-9
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PET-UNK-8df914d1-2
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MAT-POS-bb423b95-9
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