General Information of the Compound
| Compound ID |
CP0437676
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| Compound Name |
4-[4-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
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| Structure |
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| Formula |
C20H25N7O4S
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| Molecular Weight |
459.532
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| Canonical SMILES |
CS(=O)(=O)Cc1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
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| InChI |
InChI=1S/C20H25N7O4S/c1-32(28,29)14-17-21-15-4-2-3-5-16(15)27(17)20-23-18(25-6-10-30-11-7-25)22-19(24-20)26-8-12-31-13-9-26/h2-5H,6-14H2,1H3
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| InChIKey |
YOLAUEOCRLSURO-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: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform