General Information of the Compound
| Compound ID |
CP0086022
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| Compound Name |
US8673906, 4.01
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| Structure |
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| Formula |
C26H29F2N3O4
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| Molecular Weight |
485.531
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| Canonical SMILES |
CCN(CC)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
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| InChI |
InChI=1S/C26H29F2N3O4/c1-4-30(5-2)26(33)17-10-21(16(3)29-20-13-18(27)12-19(28)14-20)25-22(11-17)23(32)15-24(35-25)31-6-8-34-9-7-31/h10-16,29H,4-9H2,1-3H3
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| InChIKey |
VWTYNLODLZUBHL-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