General Information of the Compound
| Compound ID |
CP0497813
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| Compound Name |
4-{(E)-2-[({[2,4-Dimethyl-3-(1-methyl-2-methylamino-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C32H36N6O4
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| Molecular Weight |
568.678
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(NC)nc34)c2C)cc1
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| InChI |
InChI=1S/C32H36N6O4/c1-20-10-16-25(21(2)24(20)19-42-27-9-7-8-26-30(27)36-32(34-4)38(26)6)37(5)29(40)18-35-28(39)17-13-22-11-14-23(15-12-22)31(41)33-3/h7-17H,18-19H2,1-6H3,(H,33,41)(H,34,36)(H,35,39)/b17-13+
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| InChIKey |
LJIWXRWHECFROH-GHRIWEEISA-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