General Information of the Compound
| Compound ID |
CP0499691
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| Compound Name |
(1'R,3S)-5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylic acid
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| Structure |
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| Formula |
C34H35FO4
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| Molecular Weight |
526.648
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@]4(CC[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C
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| InChI |
InChI=1S/C34H35FO4/c1-33(2)14-4-5-28(33)26-17-21(6-10-25(26)27-18-23(38-3)9-11-31(27)35)20-39-24-8-7-22-12-15-34(30(22)19-24)16-13-29(34)32(36)37/h5-11,17-19,29H,4,12-16,20H2,1-3H3,(H,36,37)/t29-,34+/m0/s1
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| InChIKey |
GACANMOEVWBAEQ-ZBWWXOROSA-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