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
0.567
ALP-POS-95b75b4d-6
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ALP-POS-95b75b4d-8
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SAM-UNK-2684b532-13
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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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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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SAM-UNK-2684b532-11
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SAM-UNK-2684b532-12
0.500
ABI-SAT-4d06482b-2
0.500
MAT-POS-bb423b95-5
0.500
EDG-MED-0da5ad92-13
0.500
EDJ-MED-49816e9b-2
0.500
PET-UNK-8df914d1-4
0.500
EDJ-MED-c8e7a002-16
0.493
MAT-POS-f7918075-5
0.493
ALP-POS-95b75b4d-7
0.493
EDG-MED-0da5ad92-14
0.492
EDG-MED-0da5ad92-12
0.492
JAN-GHE-5a013bed-11
0.492
MIC-UNK-66895286-1
0.492
MAT-POS-bb423b95-4
0.486
ALP-POS-95b75b4d-5
0.486
PET-UNK-8df914d1-3
0.485
EDG-MED-0da5ad92-15
0.485
MAT-POS-bb423b95-3
0.479
ALP-POS-0c2c77e1-1
0.479
EDG-MED-0da5ad92-18
0.478
EDG-MED-0da5ad92-16
0.477
EDG-MED-0da5ad92-21
0.477
NAU-LAT-e1818702-10
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JAN-GHE-5a013bed-7
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MAT-POS-bb423b95-2
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AGN-NEW-c7b24fe3-4
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EDG-MED-0da5ad92-17
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AGN-NEW-c7b24fe3-5
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TRY-UNI-714a760b-3
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EDJ-MED-49816e9b-3
0.470
MAT-POS-f7918075-3
0.466
MIC-UNK-08cd9c58-1
0.466
AGN-NEW-c7b24fe3-1
0.464
MAT-POS-14ad9fe9-1
0.461
EDJ-MED-50fe53e8-4
0.458
PET-UNK-8df914d1-5
0.457
JAG-UCB-a3ef7265-15
0.455
JAG-UCB-a3ef7265-17
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NAU-LAT-e1818702-7
0.455
MAT-POS-199e2e7c-2
0.452
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
0.449
JAN-GHE-83b26c96-15
0.449
EDJ-MED-49816e9b-5
0.448
PET-UNK-8df914d1-1
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EDJ-MED-00c1612e-1
0.447
EDJ-MED-a364e151-2
0.446
MAT-POS-f7918075-4
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MIC-UNK-8971c93c-1
0.446
MAT-POS-f7918075-8
0.446
EDJ-MED-a364e151-1
0.446
EDJ-MED-c8e7a002-15
0.446
MIC-UNK-50cce87d-2
0.444
PET-UNK-8df914d1-2
0.444
MAT-POS-bb423b95-9
0.444
EDJ-MED-976da9a6-2
0.442
EDJ-MED-a364e151-3
0.438
EDJ-MED-c8e7a002-14
0.438
JOH-UNI-6fede743-4
0.438
MIC-UNK-d935700b-1
0.437
JAN-GHE-5a013bed-5
0.435
MAT-POS-bb423b95-8
0.432
EDJ-MED-c8e7a002-8
0.432
MIC-UNK-50cce87d-3
0.432
MIC-UNK-50cce87d-1
0.432
JOH-UNI-6fede743-1
0.432
NAU-LAT-a5c7d7cb-10
0.431
EDJ-MED-c8e7a002-11
0.431
VLA-UCB-00f2c2b3-7
0.431
JOH-UNI-6fede743-2
0.427
EDJ-MED-50fe53e8-3
0.425
EDJ-MED-c8e7a002-12
0.425
EDJ-MED-976da9a6-1
0.423
JAN-GHE-f4ca5a00-12
0.423
NAU-LAT-e1818702-1
0.423
MIC-UNK-50cce87d-4
0.421
MAT-POS-f7918075-7
0.421
EDG-MED-0da5ad92-6
0.420
EDJ-MED-50fe53e8-1
0.419
MAT-POS-f7918075-6
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MAT-POS-3cc264b0-1
0.419
EDJ-MED-50fe53e8-2
0.419
EDJ-MED-c8e7a002-17
0.413
MIC-UNK-d935700b-2
0.413
EDJ-MED-c8e7a002-7
0.413
EDJ-MED-c8e7a002-9
0.413