General Information of the Compound
| Compound ID |
CP0461879
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| Compound Name |
2-(5-Benzyloxy-1H-benzoimidazol-2-ylsulfanyl)-1-(3,4-dihydroxy-phenyl)-ethanone
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| Structure |
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| Formula |
C22H18N2O4S
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| Molecular Weight |
406.463
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| Canonical SMILES |
Oc1ccc(cc1O)C(=O)CSc1nc2ccc(OCc3ccccc3)cc2[nH]1
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| InChI |
InChI=1S/C22H18N2O4S/c25-19-9-6-15(10-20(19)26)21(27)13-29-22-23-17-8-7-16(11-18(17)24-22)28-12-14-4-2-1-3-5-14/h1-11,25-26H,12-13H2,(H,23,24)
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| InChIKey |
HPJIMAGKNYFRSG-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