General Information of the Compound
| Compound ID |
CP0329682
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| Compound Name |
[3-[4-(4-tert-butylphenyl)sulfonyl-5-methyltriazol-1-yl]-4-methoxyphenyl]methanol
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| Formula |
C21H25N3O4S
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| Molecular Weight |
415.515
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| Canonical SMILES |
COc1ccc(CO)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C21H25N3O4S/c1-14-20(29(26,27)17-9-7-16(8-10-17)21(2,3)4)22-23-24(14)18-12-15(13-25)6-11-19(18)28-5/h6-12,25H,13H2,1-5H3
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| InChIKey |
ZQZWWLVPMSHJFT-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