General Information of the Compound
| Compound ID |
CP0153354
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| Compound Name |
CHEMBL2322344
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| Formula |
C19H14Cl2N4O2
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| Molecular Weight |
401.253
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| Canonical SMILES |
COc1nn2c(O)cc(nc2c1Cc1cccc(Cl)c1Cl)-c1ccncc1
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| InChI |
InChI=1S/C19H14Cl2N4O2/c1-27-19-13(9-12-3-2-4-14(20)17(12)21)18-23-15(10-16(26)25(18)24-19)11-5-7-22-8-6-11/h2-8,10,26H,9H2,1H3
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| InChIKey |
YSMSSJBFBPYZSK-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