General Information of the Compound
| Compound ID |
CP0067451
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| Compound Name |
CHEMBL2322340
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| Formula |
C18H15Cl2F3N4O2
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| Molecular Weight |
447.244
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| Canonical SMILES |
Oc1cc(nc2c(Cc3cccc(Cl)c3Cl)c(nn12)C(F)(F)F)N1CCOCC1
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| InChI |
InChI=1S/C18H15Cl2F3N4O2/c19-12-3-1-2-10(15(12)20)8-11-16(18(21,22)23)25-27-14(28)9-13(24-17(11)27)26-4-6-29-7-5-26/h1-3,9,28H,4-8H2
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| InChIKey |
FOOGAHCTIZBPQW-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