General Information of the Compound
| Compound ID |
CP0329668
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| Compound Name |
4-[4-(2-butoxypropan-2-yl)phenyl]sulfonyl-1-(2,5-dimethoxyphenyl)-5-methyltriazole
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| Formula |
C24H31N3O5S
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| Molecular Weight |
473.595
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| Canonical SMILES |
CCCCOC(C)(C)c1ccc(cc1)S(=O)(=O)c1nnn(c1C)-c1cc(OC)ccc1OC
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| InChI |
InChI=1S/C24H31N3O5S/c1-7-8-15-32-24(3,4)18-9-12-20(13-10-18)33(28,29)23-17(2)27(26-25-23)21-16-19(30-5)11-14-22(21)31-6/h9-14,16H,7-8,15H2,1-6H3
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| InChIKey |
FIZYNUOQYNRWJS-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