General Information of the Compound
| Compound ID |
CP0881004
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| Compound Name |
4-{(E)-2-[({[3-(2-Acetyl-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 |
C33H35N5O5
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| Molecular Weight |
581.673
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c3nc(C(C)=O)n4C)c2C)cc1
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| InChI |
InChI=1S/C33H35N5O5/c1-20-10-16-26(21(2)25(20)19-43-28-9-7-8-27-31(28)36-32(22(3)39)38(27)6)37(5)30(41)18-35-29(40)17-13-23-11-14-24(15-12-23)33(42)34-4/h7-17H,18-19H2,1-6H3,(H,34,42)(H,35,40)/b17-13+
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| InChIKey |
LOGVWGMPZRXUJM-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