General Information of the Compound
| Compound ID |
CP0042725
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| Compound Name |
2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-quinazolin-4-one
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| Structure |
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| Formula |
C16H12N2O4S
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| Molecular Weight |
328.349
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| Canonical SMILES |
Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1
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| InChI |
InChI=1S/C16H12N2O4S/c19-12-6-5-9(7-13(12)20)14(21)8-23-16-17-11-4-2-1-3-10(11)15(22)18-16/h1-7,19-20H,8H2,(H,17,18,22)
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| InChIKey |
HMNDONBLFVVXGP-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