General Information of the Compound
| Compound ID |
CP0521398
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[(3R)-6-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H25FO5
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| Molecular Weight |
448.49
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc2[C@H](COc2c1)Oc1cccc(c1)[C@@H](CC(O)=O)C1CC1
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| InChI |
InChI=1S/C27H25FO5/c1-31-19-8-10-24(28)23(13-19)18-7-9-21-25(12-18)32-15-26(21)33-20-4-2-3-17(11-20)22(14-27(29)30)16-5-6-16/h2-4,7-13,16,22,26H,5-6,14-15H2,1H3,(H,29,30)/t22-,26-/m0/s1
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| InChIKey |
XGXONBPTGWTSBU-NVQXNPDNSA-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