General Information of the Compound
| Compound ID |
CP0423967
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2,3-dimethyl-benzofuran-7-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C31H29Cl2N3O5
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| Molecular Weight |
594.495
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(C)c(C)oc34)c2Cl)cc1
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| InChI |
InChI=1S/C31H29Cl2N3O5/c1-18-19(2)41-30-22(18)6-5-7-26(30)40-17-23-24(32)13-14-25(29(23)33)36(4)28(38)16-35-27(37)15-10-20-8-11-21(12-9-20)31(39)34-3/h5-15H,16-17H2,1-4H3,(H,34,39)(H,35,37)/b15-10+
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| InChIKey |
VJQRWWHNFOVXAB-XNTDXEJSSA-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