General Information of the Compound
| Compound ID |
CP0458233
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| Compound Name |
(1'R,8S)-3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]spiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylic acid
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| Structure |
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| Formula |
C32H31FO4
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| Molecular Weight |
498.594
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2ccc3C[C@]4(C[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C
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| InChI |
InChI=1S/C32H31FO4/c1-31(2)12-4-5-26(31)24-13-19(6-10-23(24)25-14-21(36-3)9-11-29(25)33)18-37-22-8-7-20-16-32(27(20)15-22)17-28(32)30(34)35/h5-11,13-15,28H,4,12,16-18H2,1-3H3,(H,34,35)/t28-,32-/m0/s1
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| InChIKey |
PPQRNISGBBLFIJ-IUDBTDONSA-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