General Information of the Compound
| Compound ID |
CP0428065
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(hydroxymethyl)-6-quinolinyl]thieno-[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C22H14ClN3O2S
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| Molecular Weight |
419.893
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| Canonical SMILES |
OCc1ccc2cc(ccc2n1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H14ClN3O2S/c23-15-4-1-13(2-5-15)20-10-19-21(29-20)22(28)26(12-24-19)17-7-8-18-14(9-17)3-6-16(11-27)25-18/h1-10,12,27H,11H2
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| InChIKey |
WQIVDLAXBUGLGY-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