General Information of the Compound
| Compound ID |
CP0460861
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(1-methyl-2-phenyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C35H31Cl2N5O4
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| Molecular Weight |
656.57
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4n(C)c(nc34)-c3ccccc3)c2Cl)cc1
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| InChI |
InChI=1S/C35H31Cl2N5O4/c1-38-35(45)24-15-12-22(13-16-24)14-19-30(43)39-20-31(44)41(2)27-18-17-26(36)25(32(27)37)21-46-29-11-7-10-28-33(29)40-34(42(28)3)23-8-5-4-6-9-23/h4-19H,20-21H2,1-3H3,(H,38,45)(H,39,43)/b19-14+
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| InChIKey |
FVHSFVCHIJEABK-XMHGGMMESA-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