General Information of the Compound
| Compound ID |
CP0093388
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| Compound Name |
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloropyridin-2-yl]amino]-2-methoxypyridin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C16H17ClN8O3S
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| Molecular Weight |
436.885
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| Canonical SMILES |
COc1ncc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O
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| InChI |
InChI=1S/C16H17ClN8O3S/c1-8-21-14(24-16(18)22-8)11-4-9(17)6-19-13(11)23-10-5-12(25-29(3,26)27)15(28-2)20-7-10/h4-7,25H,1-3H3,(H,19,23)(H2,18,21,22,24)
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| InChIKey |
HXWDVFRJZSNMJG-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