General Information of the Compound
Compound ID |
CP0488009
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Compound Name |
3-[[4-[1-[7-fluoro-4-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]indol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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Structure |
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Formula |
C32H32F4N2O3
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Molecular Weight |
568.611
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Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ccc2c(C)c(cc(F)c12)-c1ccc(cc1C)C(F)(F)F
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InChI |
InChI=1S/C32H32F4N2O3/c1-18(2)15-28(21-5-7-22(8-6-21)31(41)37-13-11-29(39)40)38-14-12-25-20(4)26(17-27(33)30(25)38)24-10-9-23(16-19(24)3)32(34,35)36/h5-10,12,14,16-18,28H,11,13,15H2,1-4H3,(H,37,41)(H,39,40)
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InChIKey |
NLTLIRTVOAXADO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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