General Information of the Compound
| Compound ID |
CP0279598
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| Compound Name |
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(2-methoxyethoxy)pyridin-2-yl]amino]-2-chloropyridin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C18H21ClN8O4S
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| Molecular Weight |
480.938
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| Canonical SMILES |
COCCOc1cnc(Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c(c1)-c1nc(C)nc(N)n1
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| InChI |
InChI=1S/C18H21ClN8O4S/c1-10-23-17(26-18(20)24-10)13-7-12(31-5-4-30-2)9-22-16(13)25-11-6-14(15(19)21-8-11)27-32(3,28)29/h6-9,27H,4-5H2,1-3H3,(H,22,25)(H2,20,23,24,26)
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| InChIKey |
LPQNHUUMWHCKNU-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