General Information of the Compound
| Compound ID |
CP0329681
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| Compound Name |
1-(5-tert-butyl-2-methoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole
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| Formula |
C24H31N3O3S
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| Molecular Weight |
441.597
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| Canonical SMILES |
COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C24H31N3O3S/c1-16-22(31(28,29)19-12-9-17(10-13-19)23(2,3)4)25-26-27(16)20-15-18(24(5,6)7)11-14-21(20)30-8/h9-15H,1-8H3
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| InChIKey |
ZRUHYAODNUVADW-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