General Information of the Compound
| Compound ID |
CP0488806
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| Compound Name |
ethyl 2-[4-[[2,6-dimethyl-3-[methyl-[2-[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]acetyl]amino]phenyl]methoxy]-1-methylbenzimidazol-2-yl]acetate
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| Structure |
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| Formula |
C35H39N5O6
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| Molecular Weight |
625.726
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| Canonical SMILES |
CCOC(=O)Cc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3C)cccc2n1C
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| InChI |
InChI=1S/C35H39N5O6/c1-7-45-33(43)19-30-38-34-28(39(30)5)9-8-10-29(34)46-21-26-22(2)11-17-27(23(26)3)40(6)32(42)20-37-31(41)18-14-24-12-15-25(16-13-24)35(44)36-4/h8-18H,7,19-21H2,1-6H3,(H,36,44)(H,37,41)/b18-14+
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| InChIKey |
VINVEDIMERRNIY-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