General Information of the Compound
| Compound ID |
CP0464758
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| Compound Name |
(E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(hexyliminomethyl)phenoxymethyl]benzamide
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| Formula |
C31H34N4O2
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| Molecular Weight |
494.639
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| Canonical SMILES |
CCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
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| InChI |
InChI=1S/C31H34N4O2/c1-3-4-5-8-17-33-20-23-11-14-26(15-12-23)37-21-24-9-6-7-10-27(24)31(36)35-25-13-16-30-28(19-25)29(32)18-22(2)34-30/h6-7,9-16,18-20H,3-5,8,17,21H2,1-2H3,(H2,32,34)(H,35,36)/b33-20+
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| InChIKey |
QRNDHNRVGQNOQG-FMFFXOCNSA-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