General Information of the Compound
| Compound ID |
CP0397437
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| Compound Name |
4-[2-[(6-methoxypyridin-3-yl)amino]-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C22H29N9O3S
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| Molecular Weight |
499.601
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| Canonical SMILES |
COc1ccc(Nc2ncc(CN3CCCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
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| InChI |
InChI=1S/C22H29N9O3S/c1-15-26-21(29-22(23)27-15)18-11-16(14-30-7-4-8-31(10-9-30)35(3,32)33)12-25-20(18)28-17-5-6-19(34-2)24-13-17/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,25,28)(H2,23,26,27,29)
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| InChIKey |
ONJSIGPCPAOGNJ-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