General Information of the Compound
| Compound ID |
CP0483163
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| Compound Name |
(1'R,4R)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylic acid
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| Structure |
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| Formula |
C35H37FO4
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| Molecular Weight |
540.675
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CCC[C@]4(CC[C@H]4C(O)=O)c3c2)cc1C1=CCCC1(C)C
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| InChI |
InChI=1S/C35H37FO4/c1-34(2)15-5-7-29(34)27-18-22(8-12-26(27)28-19-24(39-3)11-13-32(28)36)21-40-25-10-9-23-6-4-16-35(31(23)20-25)17-14-30(35)33(37)38/h7-13,18-20,30H,4-6,14-17,21H2,1-3H3,(H,37,38)/t30-,35+/m0/s1
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| InChIKey |
KDMSXLJVDHQNNV-LWQYYNMXSA-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