General Information of the Compound
| Compound ID |
CP0154961
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| Compound Name |
3-arylquinazolinethione, 1be
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| Structure |
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| Formula |
C16H14N2O2S
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| Molecular Weight |
298.367
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| Canonical SMILES |
CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12
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| InChI |
InChI=1S/C16H14N2O2S/c1-2-10-7-13(20)8-14-15(10)16(21)18(9-17-14)11-3-5-12(19)6-4-11/h3-9,19-20H,2H2,1H3
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| InChIKey |
IXRAACONZDEXAL-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