General Information of the Compound
| Compound ID |
CP0085474
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| Compound Name |
CHEMBL2322333
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| Formula |
C21H22F3N3O2
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| Molecular Weight |
405.42
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| Canonical SMILES |
Cc1nn2c(O)cc(nc2c1Cc1cccc(c1C)C(F)(F)F)C1CCOCC1
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| InChI |
InChI=1S/C21H22F3N3O2/c1-12-15(4-3-5-17(12)21(22,23)24)10-16-13(2)26-27-19(28)11-18(25-20(16)27)14-6-8-29-9-7-14/h3-5,11,14,28H,6-10H2,1-2H3
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| InChIKey |
PAIQLYMIBJFUEX-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: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform