General Information of the Compound
| Compound ID |
CP0516371
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| Compound Name |
(3R)-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-5-fluorophenyl]pentanoic acid
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| Structure |
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| Formula |
C32H36F2O4
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| Molecular Weight |
522.632
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| Canonical SMILES |
CC[C@H](CC(O)=O)c1cc(F)cc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ccc2F)c1
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| InChI |
InChI=1S/C32H36F2O4/c1-5-21(16-31(35)36)22-14-23(33)17-25(15-22)38-19-20-8-10-26(28-18-24(37-4)9-11-30(28)34)27(13-20)29-7-6-12-32(29,2)3/h8-11,13-15,17-18,21,29H,5-7,12,16,19H2,1-4H3,(H,35,36)/t21-,29+/m1/s1
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| InChIKey |
LDYRQPSYKCFZPW-PBBNMVCDSA-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