General Information of the Compound
| Compound ID |
CP0503432
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| Compound Name |
N-(4-amino-2-ethylquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
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| Structure |
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| Formula |
C25H22ClN3O2
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| Molecular Weight |
431.923
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| Canonical SMILES |
CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C25H22ClN3O2/c1-2-18-14-23(27)22-13-19(9-12-24(22)28-18)29-25(30)21-6-4-3-5-16(21)15-31-20-10-7-17(26)8-11-20/h3-14H,2,15H2,1H3,(H2,27,28)(H,29,30)
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| InChIKey |
YKCHUWVQEWMLGS-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