General Information of the Compound
| Compound ID |
CP0492857
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-1-ethoxy-2,2-dimethylpropyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C33H39FO5
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| Molecular Weight |
534.668
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| Canonical SMILES |
CCO[C@@H](c1cc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)ccc1-c1cc(OC)ccc1F)C(C)(C)C
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| InChI |
InChI=1S/C33H39FO5/c1-6-38-32(33(2,3)4)29-16-21(10-14-26(29)28-18-24(37-5)13-15-30(28)34)20-39-25-9-7-8-23(17-25)27(19-31(35)36)22-11-12-22/h7-10,13-18,22,27,32H,6,11-12,19-20H2,1-5H3,(H,35,36)/t27-,32-/m0/s1
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| InChIKey |
AAXGNQYETKQKSK-UCGGBYDDSA-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