General Information of the Compound
| Compound ID |
CP0545534
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| Compound Name |
3-[2-[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic 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(cc1C1=CCCC1(C)C)C1CCc2ccc(CCC(O)=O)cc2O1
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| InChI |
InChI=1S/C32H33FO4/c1-32(2)16-4-5-27(32)25-18-22(9-12-24(25)26-19-23(36-3)11-13-28(26)33)29-14-10-21-8-6-20(7-15-31(34)35)17-30(21)37-29/h5-6,8-9,11-13,17-19,29H,4,7,10,14-16H2,1-3H3,(H,34,35)
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| InChIKey |
OGDSDKDUKYHYAZ-UHFFFAOYSA-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