General Information of the Compound
| Compound ID |
CP0373457
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| Compound Name |
1-(3,4-dimethoxyphenyl)-2-(1-(2,4-dimethylphenyl)-1H-tetrazol-5-ylthio)ethanone
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| Structure |
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| Formula |
C20H21N3O3S
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| Molecular Weight |
383.473
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccc(C)cc1C
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| InChI |
InChI=1S/C20H21N3O3S/c1-13-5-7-16(14(2)9-13)23-20(11-21-22-23)27-12-17(24)15-6-8-18(25-3)19(10-15)26-4/h5-11H,12H2,1-4H3
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| InChIKey |
KIHMDGFVVCGYHU-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