General Information of the Compound
| Compound ID |
CP0091860
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| Compound Name |
US8673906, 2.07
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| Structure |
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| Formula |
C26H27F2N3O5
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| Molecular Weight |
499.514
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| Canonical SMILES |
CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C26H27F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)31-4-8-35-9-5-31)11-22-23(32)15-24(36-25(21)22)30-2-6-34-7-3-30/h10-16,29H,2-9H2,1H3
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| InChIKey |
HANNCOPSXXARJM-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