General Information of the Compound
| Compound ID |
CP0537258
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| Compound Name |
4-{(E)-2-[2',4'-Dimethyl-3'-(2-methyl-quinolin-8-yloxymethyl)-biphenyl-3-ylcarbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C36H33N3O3
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| Molecular Weight |
555.678
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)Nc2cccc(c2)-c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1
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| InChI |
InChI=1S/C36H33N3O3/c1-23-11-19-31(25(3)32(23)22-42-33-10-6-7-27-16-12-24(2)38-35(27)33)29-8-5-9-30(21-29)39-34(40)20-15-26-13-17-28(18-14-26)36(41)37-4/h5-21H,22H2,1-4H3,(H,37,41)(H,39,40)/b20-15+
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| InChIKey |
XMDXROAVWADOAA-HMMYKYKNSA-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