General Information of the Compound
| Compound ID |
CP0526537
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| Compound Name |
(2R)-2-[3-[[1-[(2,3-difluorophenyl)methyl]-6-oxopyridin-3-yl]methyl]-5-fluoro-2-methylindol-1-yl]propanoic acid
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| Structure |
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| Formula |
C25H21F3N2O3
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| Molecular Weight |
454.448
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| Canonical SMILES |
C[C@H](C(O)=O)n1c(C)c(Cc2ccc(=O)n(Cc3cccc(F)c3F)c2)c2cc(F)ccc12
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| InChI |
InChI=1S/C25H21F3N2O3/c1-14-19(20-11-18(26)7-8-22(20)30(14)15(2)25(32)33)10-16-6-9-23(31)29(12-16)13-17-4-3-5-21(27)24(17)28/h3-9,11-12,15H,10,13H2,1-2H3,(H,32,33)/t15-/m1/s1
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| InChIKey |
QFADWEXPUOZLAK-OAHLLOKOSA-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