General Information of the Compound
| Compound ID |
CP0384612
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| Compound Name |
(R)-2-{5-[(4-Adamantan-1-yl-2-fluoro-benzoylamino)-methyl]-2-fluoro-4-propoxy-benzyl}-butyric acid
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| Structure |
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| Formula |
C32H39F2NO4
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| Molecular Weight |
539.663
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| Canonical SMILES |
CCCOc1cc(F)c(C[C@@H](CC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C32H39F2NO4/c1-3-7-39-29-14-27(33)23(11-22(4-2)31(37)38)12-24(29)18-35-30(36)26-6-5-25(13-28(26)34)32-15-19-8-20(16-32)10-21(9-19)17-32/h5-6,12-14,19-22H,3-4,7-11,15-18H2,1-2H3,(H,35,36)(H,37,38)/t19?,20?,21?,22-,32?/m1/s1
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| InChIKey |
XWDWDQGJOOSFCU-GRPJKQKISA-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma