General Information of the Compound
| Compound ID |
CP0485016
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| Compound Name |
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3-methylphenoxy)acetamide
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3cccc(C)c3)ccc2n1
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| InChI |
InChI=1S/C25H30N4O2/c1-4-28-10-12-29(13-11-28)24-15-19(3)22-16-20(8-9-23(22)27-24)26-25(30)17-31-21-7-5-6-18(2)14-21/h5-9,14-16H,4,10-13,17H2,1-3H3,(H,26,30)
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| InChIKey |
CQKDMMNYVQGGFC-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