General Information of the Compound
| Compound ID |
CP0218104
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| Compound Name |
2-amino-4-[2-[[6-chloro-5-(dimethylsulfamoylamino)pyridin-3-yl]amino]-5-methoxypyridin-3-yl]-6-methyl-1,3,5-triazine
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| Structure |
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| Formula |
C17H20ClN9O3S
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| Molecular Weight |
465.927
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| Canonical SMILES |
COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)c(c1)-c1nc(C)nc(N)n1
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| InChI |
InChI=1S/C17H20ClN9O3S/c1-9-22-16(25-17(19)23-9)12-6-11(30-4)8-21-15(12)24-10-5-13(14(18)20-7-10)26-31(28,29)27(2)3/h5-8,26H,1-4H3,(H,21,24)(H2,19,22,23,25)
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| InChIKey |
BHEMPSVJQFJQIN-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform