General Information of the Compound
| Compound ID |
CP0455921
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| Compound Name |
(1R,2R)-2-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-2-methylcyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C32H33FO4
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| Molecular Weight |
500.61
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@]2(C)C[C@H]2C(O)=O)cc1C1=CCCC1(C)C
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| InChI |
InChI=1S/C32H33FO4/c1-31(2)14-6-9-27(31)25-15-20(10-12-24(25)26-17-22(36-4)11-13-29(26)33)19-37-23-8-5-7-21(16-23)32(3)18-28(32)30(34)35/h5,7-13,15-17,28H,6,14,18-19H2,1-4H3,(H,34,35)/t28-,32-/m0/s1
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| InChIKey |
KRJZUTZMXAVQQZ-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