Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cccnc12 |
| MW: | 297.07 |
| Fraction sp3: | 0.06 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 3.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-565-168 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 7.01875264650223 |
| IC50 (µM) - RapidFire: | 6.21925304679007 |
| pIC50 (µM) - Fluorescence | 5.15374006263866 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-10
0.595
MAT-POS-bb423b95-1
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AGN-NEW-c7b24fe3-5
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ADA-UCB-6c2cb422-1
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MAT-POS-f7918075-5
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JAN-GHE-5a013bed-10
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PET-UNK-8df914d1-3
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MIC-UNK-50cce87d-2
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MAT-POS-f7918075-3
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MIC-UNK-08cd9c58-1
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ALP-POS-95b75b4d-8
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SAM-UNK-2684b532-13
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RUB-POS-1325a9ea-12
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ALP-POS-95b75b4d-6
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EDG-MED-0da5ad92-14
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TRY-UNI-714a760b-3
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JOH-UNI-abfda500-5
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ANN-UNI-98d2bf15-3
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MIC-UNK-50cce87d-3
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JIN-POS-6dc588a4-14
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MAT-POS-bb423b95-8
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RUB-POS-1325a9ea-2
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MIC-UNK-50cce87d-1
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RUB-POS-1325a9ea-3
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TRY-UNI-714a760b-6
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AGN-NEW-c7b24fe3-1
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JIN-POS-6dc588a4-11
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ABI-SAT-4d06482b-2
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RUB-POS-1325a9ea-14
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RUB-POS-1325a9ea-4
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RUB-POS-1325a9ea-9
0.500
MIC-UNK-50cce87d-4
0.500
JOH-UNI-3fc3434e-1
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JOH-UNI-ee5ed7c8-1
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PET-UNK-f4e47ebd-2
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PET-UNK-f4e47ebd-1
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PET-UNK-6314f867-3
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AGN-NEW-c7b24fe3-4
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JOH-UNI-abfda500-4
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PET-UNK-8df914d1-1
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EDJ-MED-00c1612e-1
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JOH-UNI-3fc3434e-3
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JOH-UNI-ee5ed7c8-3
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RUB-POS-1325a9ea-8
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MAT-POS-f7918075-8
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MAT-POS-bb423b95-4
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ALP-POS-95b75b4d-5
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MAK-UNK-6ca90168-23
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PET-UNK-6314f867-2
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JIN-POS-6dc588a4-6
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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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JIN-POS-6dc588a4-4
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MAT-POS-bb423b95-5
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SAM-UNK-2684b532-12
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MAT-POS-199e2e7c-1
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RUB-POS-1325a9ea-11
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ALP-POS-95b75b4d-7
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EDG-MED-0da5ad92-17
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EDG-MED-0da5ad92-2
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JAN-GHE-5a013bed-8
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MAT-POS-bb423b95-9
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MAT-POS-14ad9fe9-1
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EDJ-MED-c8e7a002-14
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JIN-POS-6dc588a4-22
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RUB-POS-1325a9ea-13
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ALP-POS-0c2c77e1-1
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MAT-POS-bb423b95-3
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EDJ-MED-a364e151-3
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JIN-POS-6dc588a4-13
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EDG-MED-0da5ad92-16
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EDG-MED-0da5ad92-21
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JIN-POS-6dc588a4-12
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JIN-POS-6dc588a4-15
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RUB-POS-1325a9ea-5
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JOH-UNI-6fede743-1
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EDJ-MED-a364e151-2
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MAT-POS-f7918075-4
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EDJ-MED-a364e151-1
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RUB-POS-1325a9ea-15
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MIC-UNK-8971c93c-1
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RUB-POS-1325a9ea-17
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EDJ-MED-c8e7a002-12
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JIN-POS-6dc588a4-20
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EDJ-MED-976da9a6-1
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JIN-POS-6dc588a4-18
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MAT-POS-f7918075-7
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RUB-POS-1325a9ea-1
0.446
JAN-GHE-5a013bed-9
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MIC-UNK-d935700b-1
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EDG-MED-0da5ad92-13
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JOH-UNI-ee5ed7c8-2
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JOH-UNI-3fc3434e-2
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JIN-POS-6dc588a4-24
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EDG-MED-0da5ad92-12
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JIN-POS-6dc588a4-23
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JIN-POS-6dc588a4-2
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EDJ-MED-976da9a6-2
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JAN-GHE-5a013bed-6
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