General Information of the Compound
| Compound ID |
CP0303600
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| Compound Name |
US8653092, 83
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| Structure |
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| Formula |
C24H32N6O3
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| Molecular Weight |
452.559
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| Canonical SMILES |
COc1ncc(cc1C)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1
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| InChI |
InChI=1S/C24H32N6O3/c1-16-11-19(12-25-23(16)32-2)29-8-4-21-20(14-29)22(27-15-26-21)28-18-3-7-30(13-18)24(31)17-5-9-33-10-6-17/h11-12,15,17-18H,3-10,13-14H2,1-2H3,(H,26,27,28)/t18-/m0/s1
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| InChIKey |
RUSHNOUBJBSFQX-SFHVURJKSA-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