General Information of the Compound
| Compound ID |
CP0500642
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| Compound Name |
2-[(1R)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetic 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(COc2ccc3CC[C@H](CC(O)=O)c3c2)cc1C1=CCCC1(C)C
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| InChI |
InChI=1S/C32H33FO4/c1-32(2)14-4-5-29(32)27-15-20(6-12-25(27)28-17-23(36-3)11-13-30(28)33)19-37-24-10-9-21-7-8-22(16-31(34)35)26(21)18-24/h5-6,9-13,15,17-18,22H,4,7-8,14,16,19H2,1-3H3,(H,34,35)/t22-/m1/s1
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| InChIKey |
BNEVNHKLOYIPRT-JOCHJYFZSA-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