General Information of the Compound
| Compound ID |
CP0099376
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| Compound Name |
methyl 2-[4-[[[1-(3,3,3-trifluoropropanoylamino)cyclohexanecarbonyl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C25H27F3N2O4
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| Molecular Weight |
476.495
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCCCC2)NC(=O)CC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H27F3N2O4/c1-34-22(32)20-8-4-3-7-19(20)18-11-9-17(10-12-18)16-29-23(33)24(13-5-2-6-14-24)30-21(31)15-25(26,27)28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,29,33)(H,30,31)
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| InChIKey |
ZAVGJTCHPQJARU-UHFFFAOYSA-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