General Information of the Compound
| Compound ID |
CP0401153
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C32H37FO5
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| Molecular Weight |
520.641
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| Canonical SMILES |
CO[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/C32H37FO5/c1-32(2,3)31(37-5)28-15-20(9-13-25(28)27-17-23(36-4)12-14-29(27)33)19-38-24-8-6-7-22(16-24)26(18-30(34)35)21-10-11-21/h6-9,12-17,21,26,31H,10-11,18-19H2,1-5H3,(H,34,35)/t26-,31-/m0/s1
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| InChIKey |
HZGXBBBTYFNUML-HVNZXBJASA-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