General Information of the Compound
| Compound ID |
CP0085472
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| Compound Name |
CHEMBL2322337
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| Formula |
C20H15F3N4O
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| Molecular Weight |
384.361
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| Canonical SMILES |
Cc1c(Cc2cnn3c(O)cc(nc23)-c2ccncc2)cccc1C(F)(F)F
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| InChI |
InChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,28H,9H2,1H3
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| InChIKey |
SMLGFRBFJIQCQT-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