General Information of the Compound
| Compound ID |
CP0177287
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| Compound Name |
US8673906, 3.3
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| Structure |
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| Formula |
C25H28FN3O5
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| Molecular Weight |
469.513
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| Canonical SMILES |
COc1cc(F)cc(NC(C)c2cc(cc3c2oc(cc3=O)N2CCOCC2)C(=O)N(C)C)c1
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| InChI |
InChI=1S/C25H28FN3O5/c1-15(27-18-11-17(26)12-19(13-18)32-4)20-9-16(25(31)28(2)3)10-21-22(30)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,27H,5-8H2,1-4H3
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| InChIKey |
PKOQQRKDYMICGM-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