General Information of the Compound
| Compound ID |
CP0489817
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| Compound Name |
(3S)-3-cyclobutyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C34H39FO4
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| Molecular Weight |
530.68
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CCC2)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C34H39FO4/c1-34(2)16-6-11-31(34)29-17-22(12-14-27(29)30-19-25(38-3)13-15-32(30)35)21-39-26-10-5-9-24(18-26)28(20-33(36)37)23-7-4-8-23/h5,9-10,12-15,17-19,23,28,31H,4,6-8,11,16,20-21H2,1-3H3,(H,36,37)/t28-,31-/m0/s1
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| InChIKey |
PFUKZGSLQIMUGV-IZEXYCQBSA-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