General Information of the Compound
Compound ID |
CP0536756
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Compound Name |
(2S,3R)-3-cyclopropyl-3-[3-[[(1R)-5-(5-fluoro-2-methoxypyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
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Structure |
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Formula |
C28H28FNO4
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Molecular Weight |
461.533
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Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1
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InChI |
InChI=1S/C28H28FNO4/c1-16(28(31)32)27(17-6-7-17)20-4-3-5-21(13-20)34-25-11-9-18-12-19(8-10-22(18)25)23-14-26(33-2)30-15-24(23)29/h3-5,8,10,12-17,25,27H,6-7,9,11H2,1-2H3,(H,31,32)/t16-,25+,27-/m0/s1
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InChIKey |
HSJHRYDPAFKPPT-FQICASNESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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