General Information of the Compound
| Compound ID |
CP0389996
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| Compound Name |
(3S)-3-cyclopropyl-3-[2-[4-(5-fluoro-2-methoxypyridin-4-yl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
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| Structure |
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| Formula |
C27H26FNO4
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| Molecular Weight |
447.506
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| Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
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| InChI |
InChI=1S/C27H26FNO4/c1-32-26-13-22(23(28)15-29-26)17-4-6-18(7-5-17)24-11-10-19-8-9-20(12-25(19)33-24)21(14-27(30)31)16-2-3-16/h4-9,12-13,15-16,21,24H,2-3,10-11,14H2,1H3,(H,30,31)/t21-,24?/m0/s1
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| InChIKey |
FDYFZJMNHNOYQS-XEGCMXMBSA-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