General Information of the Compound
| Compound ID |
CP0460584
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| Compound Name |
(E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(butyliminomethyl)phenoxymethyl]benzamide
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| Formula |
C29H30N4O2
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| Molecular Weight |
466.585
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| Canonical SMILES |
CCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
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| InChI |
InChI=1S/C29H30N4O2/c1-3-4-15-31-18-21-9-12-24(13-10-21)35-19-22-7-5-6-8-25(22)29(34)33-23-11-14-28-26(17-23)27(30)16-20(2)32-28/h5-14,16-18H,3-4,15,19H2,1-2H3,(H2,30,32)(H,33,34)/b31-18+
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| InChIKey |
VQPHHMSMSZKAPH-FDAWAROLSA-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