Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12 |
| 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-047-565-170 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 21.6513749569535 |
| Order Status | |
| Ordered: | 2020-08-16 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
MAT-POS-3cc264b0-1
1.000
JOH-UNI-6fede743-4
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ADA-UCB-6c2cb422-1
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RUB-POS-1325a9ea-18
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JOH-UNI-6fede743-2
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JOH-UNI-3fc3434e-8
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JOH-UNI-ee5ed7c8-8
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EDJ-MED-c8e7a002-11
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NAU-LAT-a5c7d7cb-10
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EDG-MED-0da5ad92-15
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EDJ-MED-50fe53e8-2
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MAT-POS-f7918075-6
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JOH-UNI-ee5ed7c8-11
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JOH-UNI-3fc3434e-11
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JIN-POS-6dc588a4-8
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JIN-POS-6dc588a4-7
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NAU-LAT-a5c7d7cb-11
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EDJ-MED-c8e7a002-16
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RUB-POS-1325a9ea-17
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JAN-GHE-5a013bed-6
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JAN-GHE-5a013bed-9
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JIN-POS-6dc588a4-3
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NAU-LAT-e1818702-7
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JAG-UCB-a3ef7265-17
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JAN-GHE-5a013bed-7
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NAU-LAT-e1818702-10
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MAT-POS-199e2e7c-2
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ALP-POS-3b848b35-3
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PET-UNK-158bee2a-1
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VLA-UNK-4cf5aa07-1
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PET-UNK-8df914d1-1
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EDJ-MED-00c1612e-1
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MAT-POS-90fd5f68-19
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JIN-POS-6dc588a4-23
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MAT-POS-bb423b95-7
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JIN-POS-6dc588a4-2
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DAR-DIA-6a49afbe-1
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VLA-UNK-4cf5aa07-2
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RUB-POS-1325a9ea-4
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MAT-POS-90fd5f68-40
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JAN-GHE-5a013bed-10
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JIN-POS-6dc588a4-13
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NAU-LAT-e1818702-8
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NAU-LAT-e1818702-9
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MAT-POS-90fd5f68-37
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MAT-POS-f7918075-5
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JOH-UNI-6fede743-1
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JIN-POS-6dc588a4-16
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JIN-POS-6dc588a4-24
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JIN-POS-6dc588a4-21
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EDG-MED-0da5ad92-16
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PET-UNK-158bee2a-3
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ALP-POS-95b75b4d-8
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SAM-UNK-2684b532-13
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DAR-DIA-076fb6ea-1
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PET-UNK-12d8d43f-2
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MAT-POS-90fd5f68-39
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VLA-UCB-05e51b3f-16
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JOH-UNI-1b27fa5e-2
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JOH-UNI-abfda500-5
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ANN-UNI-98d2bf15-3
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MIC-UNK-08cd9c58-1
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EDJ-MED-a364e151-1
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MAT-POS-f7918075-3
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EDG-MED-0da5ad92-12
0.421
ALP-POS-95b75b4d-6
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EDJ-MED-49816e9b-3
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EDJ-MED-c8e7a002-12
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EDJ-MED-50fe53e8-3
0.420
MAT-POS-bb423b95-1
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MAT-POS-bb423b95-9
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EDG-MED-0da5ad92-2
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MIC-UNK-66895286-1
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JAN-GHE-5a013bed-11
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JAN-GHE-5a013bed-8
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PET-UNK-5ecb6237-1
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MAT-POS-90fd5f68-25
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MAT-POS-90fd5f68-22
0.419
PET-UNK-d899bab6-1
0.419
JAN-GHE-f4ca5a00-12
0.418
NAU-LAT-e1818702-1
0.418
JIN-POS-6dc588a4-18
0.417
TRY-UNI-714a760b-6
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PET-UNK-8df914d1-3
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ALP-POS-0c2c77e1-1
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ROB-UNI-daaf9793-1
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MAT-POS-bb423b95-3
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MAT-POS-e1b5ac6b-1
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PET-UNK-b38839dc-2
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MAT-POS-90fd5f68-20
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MAT-POS-90fd5f68-29
0.414
VLA-UNK-411a133b-2
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JIN-POS-6dc588a4-5
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VLA-UCB-05e51b3f-15
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PET-UNK-6c2be958-1
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VLA-UCB-05e51b3f-17
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PET-UNK-12d8d43f-1
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MAT-POS-c20a539d-2
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BEN-DND-1e24cf73-5
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