General Information of the Compound
| Compound ID |
CP0005570
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| Compound Name |
4-[2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C21H26FN9O3S
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| Molecular Weight |
503.564
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| Canonical SMILES |
COc1ncc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F
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| InChI |
InChI=1S/C21H26FN9O3S/c1-13-26-19(29-21(23)27-13)16-8-14(12-30-4-6-31(7-5-30)35(3,32)33)10-24-18(16)28-15-9-17(22)20(34-2)25-11-15/h8-11H,4-7,12H2,1-3H3,(H,24,28)(H2,23,26,27,29)
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| InChIKey |
HUIOREQGDCWTAK-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