General Information of the Compound
| Compound ID |
CP0258577
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| Compound Name |
US8673906, 3.16
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| Structure |
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| Formula |
C25H28FN3O4
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| Molecular Weight |
453.514
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| Canonical SMILES |
CC(Nc1cc(C)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
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| InChI |
InChI=1S/C25H28FN3O4/c1-15-9-18(26)13-19(10-15)27-16(2)20-11-17(25(31)28(3)4)12-21-22(30)14-23(33-24(20)21)29-5-7-32-8-6-29/h9-14,16,27H,5-8H2,1-4H3
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| InChIKey |
XJSKZRBOYRXUSG-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