General Information of the Compound
| Compound ID |
CP0348177
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| Compound Name |
N-[3-(cyclohexylcarbamoylamino)phenyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C19H22N4O2
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| Molecular Weight |
338.411
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| Canonical SMILES |
O=C(NC1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1
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| InChI |
InChI=1S/C19H22N4O2/c24-18(17-11-4-5-12-20-17)21-15-9-6-10-16(13-15)23-19(25)22-14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,21,24)(H2,22,23,25)
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| InChIKey |
KOFUQOSYLNBEDS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 6260 nM
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