General Information of the Compound
| Compound ID |
CP0366488
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| Compound Name |
N-[3-[4-(2-aminopyrimidin-5-yl)triazol-1-yl]-2,4-difluorophenyl]-3-chlorobenzenesulfonamide
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| Structure |
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| Formula |
C18H12ClF2N7O2S
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| Molecular Weight |
463.857
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| Canonical SMILES |
Nc1ncc(cn1)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F
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| InChI |
InChI=1S/C18H12ClF2N7O2S/c19-11-2-1-3-12(6-11)31(29,30)26-14-5-4-13(20)17(16(14)21)28-9-15(25-27-28)10-7-23-18(22)24-8-10/h1-9,26H,(H2,22,23,24)
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| InChIKey |
SGQNPGOMCUVYPB-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