General Information of the Compound
| Compound ID |
CP0392560
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(1,2-dimethyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C30H29Cl2N5O4
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| Molecular Weight |
594.499
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4n(C)c(C)nc34)c2Cl)cc1
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| InChI |
InChI=1S/C30H29Cl2N5O4/c1-18-35-29-24(36(18)3)6-5-7-25(29)41-17-21-22(31)13-14-23(28(21)32)37(4)27(39)16-34-26(38)15-10-19-8-11-20(12-9-19)30(40)33-2/h5-15H,16-17H2,1-4H3,(H,33,40)(H,34,38)/b15-10+
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| InChIKey |
IDDWGKWJXGDIOC-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