General Information of the Compound
| Compound ID |
CP0483065
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| Compound Name |
1-(3,4-Dihydroxy-phenyl)-2-(5-nitro-1H-benzoimidazol-2-ylsulfanyl)-ethanone
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| Structure |
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| Formula |
C15H11N3O5S
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| Molecular Weight |
345.336
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| Canonical SMILES |
Oc1ccc(cc1O)C(=O)CSc1nc2ccc(cc2[nH]1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H11N3O5S/c19-12-4-1-8(5-13(12)20)14(21)7-24-15-16-10-3-2-9(18(22)23)6-11(10)17-15/h1-6,19-20H,7H2,(H,16,17)
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| InChIKey |
QBJTWNQVNTYDIL-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