General Information of the Compound
| Compound ID |
CP0089057
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| Compound Name |
US8673906, 4.17
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| Structure |
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| Formula |
C24H25F2N3O4
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| Molecular Weight |
457.477
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| Canonical SMILES |
CCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
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| InChI |
InChI=1S/C24H25F2N3O4/c1-3-27-24(31)15-8-19(14(2)28-18-11-16(25)10-17(26)12-18)23-20(9-15)21(30)13-22(33-23)29-4-6-32-7-5-29/h8-14,28H,3-7H2,1-2H3,(H,27,31)
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| InChIKey |
BHDAOCAOTBBVOL-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