General Information of the Compound
| Compound ID |
CP0322768
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| Compound Name |
2-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C19H20FN5O2
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| Molecular Weight |
369.4
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| Canonical SMILES |
Fc1ccc2n(C3CC3)c(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1
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| InChI |
InChI=1S/C19H20FN5O2/c20-12-1-4-15-14(9-12)21-18(25(15)13-2-3-13)10-16-22-17(11-19(26)23-16)24-5-7-27-8-6-24/h1,4,9,11,13H,2-3,5-8,10H2,(H,22,23,26)
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| InChIKey |
MTHPQWCRVGFTAP-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