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 |
| Activity Data | |
| Average Inhibition @ 20 µM - Fluorescence: | 3.7111625 |
| Average Inhibition @ 50 µM - Fluorescence: | 13.31442 |
| Relative Solubility @ 20 µM: | 1.01 |
| Relative Solubility @ 100 µM: | 1.0 |
| 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-6
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SAM-UNK-2684b532-13
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ALP-POS-95b75b4d-8
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JOH-UNI-abfda500-5
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ANN-UNI-98d2bf15-3
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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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JAN-GHE-5a013bed-10
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MAK-UNK-6ca90168-23
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MAT-POS-bb423b95-1
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EDG-MED-0da5ad92-13
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SAM-UNK-2684b532-11
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SAM-UNK-2684b532-12
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ABI-SAT-4d06482b-2
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PET-UNK-8df914d1-4
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EDJ-MED-49816e9b-2
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MAT-POS-bb423b95-5
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EDJ-MED-c8e7a002-16
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MAT-POS-f7918075-5
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ALP-POS-95b75b4d-7
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EDG-MED-0da5ad92-12
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EDG-MED-0da5ad92-14
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JAN-GHE-5a013bed-11
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MIC-UNK-66895286-1
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ALP-POS-95b75b4d-5
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MAT-POS-bb423b95-4
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EDG-MED-0da5ad92-15
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PET-UNK-8df914d1-3
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ALP-POS-0c2c77e1-1
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MAT-POS-bb423b95-3
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EDG-MED-0da5ad92-18
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EDG-MED-0da5ad92-16
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EDG-MED-0da5ad92-21
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JAN-GHE-5a013bed-7
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NAU-LAT-e1818702-10
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MAT-POS-bb423b95-2
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EDG-MED-0da5ad92-17
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TRY-UNI-714a760b-3
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AGN-NEW-c7b24fe3-4
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AGN-NEW-c7b24fe3-5
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EDJ-MED-49816e9b-3
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MIC-UNK-08cd9c58-1
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MAT-POS-f7918075-3
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AGN-NEW-c7b24fe3-1
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MAT-POS-14ad9fe9-1
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EDJ-MED-50fe53e8-4
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PET-UNK-8df914d1-5
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JAG-UCB-a3ef7265-17
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JAG-UCB-a3ef7265-15
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NAU-LAT-e1818702-7
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MAT-POS-199e2e7c-2
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MAT-POS-199e2e7c-1
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ADA-UCB-6c2cb422-1
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ALP-POS-3b848b35-3
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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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PET-UNK-8df914d1-1
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EDJ-MED-a364e151-1
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MAT-POS-f7918075-8
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MIC-UNK-8971c93c-1
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MAT-POS-f7918075-4
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EDJ-MED-c8e7a002-15
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EDJ-MED-a364e151-2
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PET-UNK-8df914d1-2
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MIC-UNK-50cce87d-2
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MAT-POS-bb423b95-9
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EDJ-MED-976da9a6-2
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EDJ-MED-a364e151-3
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EDJ-MED-c8e7a002-14
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JOH-UNI-6fede743-4
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MIC-UNK-d935700b-1
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JAN-GHE-5a013bed-5
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EDJ-MED-c8e7a002-8
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MIC-UNK-50cce87d-1
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MIC-UNK-50cce87d-3
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MAT-POS-bb423b95-8
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JOH-UNI-6fede743-1
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EDJ-MED-c8e7a002-11
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NAU-LAT-a5c7d7cb-10
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VLA-UCB-00f2c2b3-7
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JOH-UNI-6fede743-2
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EDJ-MED-c8e7a002-12
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EDJ-MED-50fe53e8-3
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EDJ-MED-976da9a6-1
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JAN-GHE-f4ca5a00-12
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NAU-LAT-e1818702-1
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JOH-UNI-ee5ed7c8-8
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MAT-POS-f7918075-7
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MIC-UNK-50cce87d-4
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JOH-UNI-3fc3434e-8
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EDG-MED-0da5ad92-6
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EDJ-MED-50fe53e8-1
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EDJ-MED-50fe53e8-2
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MAT-POS-3cc264b0-1
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MAT-POS-f7918075-6
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