General Information of the Compound
| Compound ID |
CP0177291
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| Compound Name |
US8673906, 4.15
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| Structure |
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| Formula |
C25H27F2N3O5
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| Molecular Weight |
487.503
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| Canonical SMILES |
COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
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| InChI |
InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
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| InChIKey |
OVRXDSQQCRJQMD-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