General Information of the Compound
| Compound ID |
CP0392462
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| Compound Name |
(3R)-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]hexanoic acid
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| Structure |
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| Formula |
C33H39FO4
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| Molecular Weight |
518.669
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| Canonical SMILES |
CCC[C@H](CC(O)=O)c1cccc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ccc2F)c1
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| InChI |
InChI=1S/C33H39FO4/c1-5-8-23(19-32(35)36)24-9-6-10-26(18-24)38-21-22-12-14-27(29-20-25(37-4)13-15-31(29)34)28(17-22)30-11-7-16-33(30,2)3/h6,9-10,12-15,17-18,20,23,30H,5,7-8,11,16,19,21H2,1-4H3,(H,35,36)/t23-,30+/m1/s1
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| InChIKey |
GCNYPSKLNPGGBI-DJUQAAIZSA-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