General Information of the Compound
| Compound ID |
CP0066459
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| Compound Name |
US8653092, 63
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| Structure |
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| Formula |
C21H24F3N5O3
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| Molecular Weight |
451.449
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H24F3N5O3/c1-3-18(30)29-6-4-14(10-29)32-19-15-11-28(7-5-17(15)26-12-27-19)13-8-16(21(22,23)24)20(31-2)25-9-13/h8-9,12,14H,3-7,10-11H2,1-2H3/t14-/m0/s1
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| InChIKey |
ZADGOAAFZDRNIQ-AWEZNQCLSA-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