General Information of the Compound
| Compound ID |
CP0142914
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| Compound Name |
2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-6-methyl-1,3,5-triazin-2-ylamino)acetonitrile
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| Structure |
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| Formula |
C19H16N8O
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| Molecular Weight |
372.392
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| Canonical SMILES |
Cc1nc(NCC#N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
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| InChI |
InChI=1S/C19H16N8O/c1-12-22-17(21-10-9-20)26-18(23-12)27-16-8-3-2-7-15(16)25-19(27)24-13-5-4-6-14(28)11-13/h2-8,11,28H,10H2,1H3,(H,24,25)(H,21,22,23,26)
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| InChIKey |
MOYOOFRKRSCAKY-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
Protein ID: PT01065, Serine/threonine-protein kinase mTOR