General Information of the Compound
| Compound ID |
CP0205068
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| Compound Name |
US8673906, 6
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| Structure |
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| Formula |
C27H29F2N3O4
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| Molecular Weight |
497.542
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| Canonical SMILES |
CC(N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C27H29F2N3O4/c1-17(30(2)21-14-19(28)13-20(29)15-21)22-11-18(27(34)32-5-3-4-6-32)12-23-24(33)16-25(36-26(22)23)31-7-9-35-10-8-31/h11-17H,3-10H2,1-2H3
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| InChIKey |
WFEKZUTYCXQXCD-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