Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cc(N)ncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 275.08 |
| Fraction sp3: | 0.14 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 68.01 |
| cLogP: | 2.81 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-567-654 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-08-19 |
aniline
AAR-POS-d2a4d1df-11
EDG-MED-0da5ad92-16
0.619
TRY-UNI-714a760b-6
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TRY-UNI-714a760b-3
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PET-UNK-8df914d1-3
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EDG-MED-0da5ad92-21
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ABI-SAT-4d06482b-2
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EDG-MED-0da5ad92-14
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EDG-MED-0da5ad92-18
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JAN-GHE-5a013bed-10
0.507
ALP-POS-95b75b4d-8
0.500
SAM-UNK-2684b532-13
0.500
JIN-POS-6dc588a4-3
0.500
PET-UNK-158bee2a-3
0.500
EDJ-MED-49816e9b-2
0.500
RUB-POS-1325a9ea-19
0.500
EDG-MED-0da5ad92-13
0.500
MIC-UNK-d935700b-1
0.500
RUB-POS-1325a9ea-5
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RUB-POS-1325a9ea-3
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MIC-UNK-50cce87d-3
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JOH-UNI-abfda500-5
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ANN-UNI-98d2bf15-3
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EDJ-MED-49816e9b-3
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ALP-POS-95b75b4d-6
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JIN-POS-6dc588a4-23
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RUB-POS-1325a9ea-17
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AGN-NEW-c7b24fe3-1
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JIN-POS-6dc588a4-6
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MAT-POS-bb423b95-5
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MAT-POS-29385cc1-4
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JIN-POS-6dc588a4-24
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JIN-POS-6dc588a4-10
0.474
MAT-POS-199e2e7c-1
0.474
MAT-POS-bb423b95-2
0.474
JOH-UNI-6fede743-1
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VLA-UCB-00f2c2b3-7
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ALP-POS-95b75b4d-7
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JOH-UNI-abfda500-4
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AGN-NEW-c7b24fe3-4
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AGN-NEW-c7b24fe3-5
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EDG-MED-0da5ad92-12
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EDJ-MED-49816e9b-5
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JAN-GHE-5a013bed-8
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EDJ-MED-b24713dc-1
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MAT-POS-f7918075-8
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MIC-UNK-08cd9c58-1
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MAT-POS-f7918075-3
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EDJ-MED-c8e7a002-12
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MAK-UNK-6ca90168-23
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EDG-MED-0da5ad92-15
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JAN-GHE-5a013bed-6
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JAN-GHE-5a013bed-9
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MAT-POS-14ad9fe9-1
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JIN-POS-6dc588a4-18
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RUB-POS-1325a9ea-4
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EDJ-MED-b24713dc-4
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MAT-POS-29385cc1-3
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MAT-POS-c20a539d-6
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MAT-POS-f7918075-6
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EDJ-MED-50fe53e8-2
0.461
PET-UNK-e274cad4-6
0.461
SAM-UNK-2684b532-11
0.459
JIN-POS-6dc588a4-4
0.459
SAM-UNK-2684b532-12
0.459
PET-UNK-8df914d1-4
0.457
JAG-UCB-a3ef7265-15
0.457
MIC-UNK-f2576da4-1
0.456
RUB-POS-1325a9ea-11
0.455
PET-UNK-b1ef24dc-3
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EDJ-MED-b24713dc-2
0.453
ADA-UCB-6c2cb422-1
0.453
MAT-POS-8feb6e35-2
0.451
PET-UNK-158bee2a-4
0.449
EDG-MED-0da5ad92-2
0.449
MIC-UNK-66895286-1
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MIC-UNK-8971c93c-1
0.449
MAT-POS-f7918075-4
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EDJ-MED-a364e151-1
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RUB-POS-1325a9ea-8
0.449
RUB-POS-1325a9ea-15
0.449
JIN-POS-6dc588a4-9
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ALP-POS-95b75b4d-5
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MIC-UNK-51049f1a-6
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MAT-POS-bb423b95-9
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MAT-POS-bb423b95-1
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MAT-POS-bb423b95-4
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MIC-UNK-50cce87d-2
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EDJ-MED-6ab52e52-1
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MAT-POS-8feb6e35-1
0.444
RUB-POS-1325a9ea-14
0.443
RUB-POS-1325a9ea-9
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PET-UNK-e274cad4-1
0.443
MIC-UNK-50cce87d-4
0.443
VLA-UNK-411a133b-2
0.443
PET-UNK-b1ef24dc-1
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JIN-POS-6dc588a4-22
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RUB-POS-1325a9ea-13
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ALP-POS-0c2c77e1-1
0.442
MAT-POS-bb423b95-3
0.442
BEN-DND-1e24cf73-3
0.442