General Information of the Compound
| Compound ID |
CP0213155
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| Compound Name |
US8673906, 4.09
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| Structure |
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| Formula |
C27H29F2N3O5
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| Molecular Weight |
513.541
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| Canonical SMILES |
CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1
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| InChI |
InChI=1S/C27H29F2N3O5/c1-16(30-20-13-18(28)12-19(29)14-20)22-10-17(27(35)32-4-2-21(33)3-5-32)11-23-24(34)15-25(37-26(22)23)31-6-8-36-9-7-31/h10-16,21,30,33H,2-9H2,1H3
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| InChIKey |
VHMBIMDLAGQBLT-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