General Information of the Compound
| Compound ID |
CP0382166
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| Compound Name |
2-[3-[[1-[(2,6-difluorophenyl)methyl]-6-oxopyridin-3-yl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H19F3N2O3
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| Molecular Weight |
440.421
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| Canonical SMILES |
Cc1c(Cc2ccc(=O)n(Cc3c(F)cccc3F)c2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C24H19F3N2O3/c1-14-17(18-10-16(25)6-7-22(18)29(14)13-24(31)32)9-15-5-8-23(30)28(11-15)12-19-20(26)3-2-4-21(19)27/h2-8,10-11H,9,12-13H2,1H3,(H,31,32)
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| InChIKey |
JNLJKUHZPFBVIV-UHFFFAOYSA-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