General Information of the Compound
| Compound ID |
CP0140876
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| Compound Name |
3-arylquinazolinone, 1aab
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| Structure |
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| Formula |
C15H12N2O4S
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| Molecular Weight |
316.338
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| Canonical SMILES |
COc1cc(O)c2c(c1)[nH]c(=S)n(-c1ccc(O)cc1)c2=O
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| InChI |
InChI=1S/C15H12N2O4S/c1-21-10-6-11-13(12(19)7-10)14(20)17(15(22)16-11)8-2-4-9(18)5-3-8/h2-7,18-19H,1H3,(H,16,22)
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| InChIKey |
UGRSUMHLLHZWMO-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