General Information of the Compound
| Compound ID |
CP0404842
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| Compound Name |
(1'S,3S)-5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
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| Structure |
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| Formula |
C33H33FO4
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| Molecular Weight |
512.621
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CC[C@@]4(C[C@@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C
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| InChI |
InChI=1S/C33H33FO4/c1-32(2)13-4-5-27(32)25-15-20(6-10-24(25)26-16-22(37-3)9-11-30(26)34)19-38-23-8-7-21-12-14-33(28(21)17-23)18-29(33)31(35)36/h5-11,15-17,29H,4,12-14,18-19H2,1-3H3,(H,35,36)/t29-,33-/m1/s1
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| InChIKey |
JATIUJDLIVNBMA-CYTLCNBWSA-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