General Information of the Compound
| Compound ID |
CP0147436
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| Compound Name |
2-[(1-benzylbenzimidazol-2-yl)methyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
O=c1cc(nc(Cc2nc3ccccc3n2Cc2ccccc2)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C23H23N5O2/c29-23-15-21(27-10-12-30-13-11-27)25-20(26-23)14-22-24-18-8-4-5-9-19(18)28(22)16-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2,(H,25,26,29)
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| InChIKey |
SGTFKNUJAAEBRH-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