General Information of the Compound
| Compound ID |
CP0406330
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| Compound Name |
4-{(E)-2-[({[3-(2-Dimethylamino-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C33H38N6O4
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| Molecular Weight |
582.705
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4n(C)c(nc34)N(C)C)c2C)cc1
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| InChI |
InChI=1S/C33H38N6O4/c1-21-11-17-26(22(2)25(21)20-43-28-10-8-9-27-31(28)36-33(37(4)5)39(27)7)38(6)30(41)19-35-29(40)18-14-23-12-15-24(16-13-23)32(42)34-3/h8-18H,19-20H2,1-7H3,(H,34,42)(H,35,40)/b18-14+
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| InChIKey |
MKFKIDJMFXAQFH-NBVRZTHBSA-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