General Information of the Compound
| Compound ID |
CP0494083
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| Compound Name |
N-(2-fluoro-4-methylsulfonylphenyl)-3-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C23H26FN9O2S
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| Molecular Weight |
511.587
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| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)n1nnc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
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| InChI |
InChI=1S/C23H26FN9O2S/c1-3-4-15-12-25-23(26-13-15)32-9-7-16(8-10-32)33-22-20(30-31-33)21(27-14-28-22)29-19-6-5-17(11-18(19)24)36(2,34)35/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,27,28,29)
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| InChIKey |
XYLPUTDPNTYJCZ-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