General Information of the Compound
| Compound ID |
CP0503147
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| Compound Name |
4-{(E)-2-[({[4-Chloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C31H29ClN4O4
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| Molecular Weight |
557.05
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2)cc1
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| InChI |
InChI=1S/C31H29ClN4O4/c1-20-7-11-22-5-4-6-27(30(22)35-20)40-19-24-17-25(14-15-26(24)32)36(3)29(38)18-34-28(37)16-10-21-8-12-23(13-9-21)31(39)33-2/h4-17H,18-19H2,1-3H3,(H,33,39)(H,34,37)/b16-10+
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| InChIKey |
PJWHZRHPRCBCDY-MHWRWJLKSA-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