General Information of the Compound
| Compound ID |
CP0497475
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| Compound Name |
N'-(3-chloro-4-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]butanediamide
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| Structure |
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| Formula |
C26H29ClFN5O2
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| Molecular Weight |
498.002
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)CCC(=O)Nc3ccc(F)c(Cl)c3)ccc2n1
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| InChI |
InChI=1S/C26H29ClFN5O2/c1-3-32-10-12-33(13-11-32)24-14-17(2)20-15-18(5-7-23(20)31-24)29-25(34)8-9-26(35)30-19-4-6-22(28)21(27)16-19/h4-7,14-16H,3,8-13H2,1-2H3,(H,29,34)(H,30,35)
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| InChIKey |
ZFCUCBMTSLQRHQ-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