General Information of the Compound
| Compound ID |
CP0485595
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| Compound Name |
4-(4-tert-butylphenyl)sulfonyl-1-[2-methoxy-5-(trifluoromethyl)phenyl]-5-methyltriazole
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| Formula |
C21H22F3N3O3S
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| Molecular Weight |
453.486
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| Canonical SMILES |
COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N3O3S/c1-13-19(31(28,29)16-9-6-14(7-10-16)20(2,3)4)25-26-27(13)17-12-15(21(22,23)24)8-11-18(17)30-5/h6-12H,1-5H3
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| InChIKey |
PMCHRCTUMMKSGJ-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