General Information of the Compound
| Compound ID |
CP0474892
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| Compound Name |
3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(3-fluoro-4-methylsulfonylphenyl)triazolo[4,5-c]pyridine
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| Structure |
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| Formula |
C23H24FN7O2S
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| Molecular Weight |
481.557
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)n1nnc2cc(ncc12)-c1ccc(c(F)c1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H24FN7O2S/c1-3-15-12-26-23(27-13-15)30-8-6-17(7-9-30)31-21-14-25-19(11-20(21)28-29-31)16-4-5-22(18(24)10-16)34(2,32)33/h4-5,10-14,17H,3,6-9H2,1-2H3
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| InChIKey |
GSSGWQUXZAMFHQ-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