General Information of the Compound
| Compound ID |
CP0329683
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| Compound Name |
(1R)-1-[3-[4-(4-tert-butylphenyl)sulfonyl-5-methyltriazol-1-yl]-4-methoxyphenyl]ethanol
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| Formula |
C22H27N3O4S
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| Molecular Weight |
429.542
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| Canonical SMILES |
COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)[C@@H](C)O
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| InChI |
InChI=1S/C22H27N3O4S/c1-14-21(30(27,28)18-10-8-17(9-11-18)22(3,4)5)23-24-25(14)19-13-16(15(2)26)7-12-20(19)29-6/h7-13,15,26H,1-6H3/t15-/m1/s1
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| InChIKey |
UNSUWAXGWVJBJU-OAHLLOKOSA-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