General Information of the Compound
| Compound ID |
CP0386172
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| Compound Name |
4-[4-(6-methoxy-2-propan-2-ylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
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| Structure |
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| Formula |
C22H29N7O3
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| Molecular Weight |
439.52
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| Canonical SMILES |
COc1ccc2nc(C(C)C)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
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| InChI |
InChI=1S/C22H29N7O3/c1-15(2)19-23-17-5-4-16(30-3)14-18(17)29(19)22-25-20(27-6-10-31-11-7-27)24-21(26-22)28-8-12-32-13-9-28/h4-5,14-15H,6-13H2,1-3H3
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| InChIKey |
VGHPEXHAAUGVIL-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