General Information of the Compound
| Compound ID |
CP0276439
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| Compound Name |
1-(4-tert-butylphenylsulfonyl)azepan-4-ol
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| Synonyms |
1-(4-tert-butylphenylsulfonyl)azepan-4-ol
CHEMBL539200
SCHEMBL12550392
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| Structure |
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| Formula |
C16H25NO3S
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| Molecular Weight |
311.447
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(O)CC1
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| InChI |
InChI=1S/C16H25NO3S/c1-16(2,3)13-6-8-15(9-7-13)21(19,20)17-11-4-5-14(18)10-12-17/h6-9,14,18H,4-5,10-12H2,1-3H3
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| InChIKey |
GHPTYGKGUJYMFW-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
Clinical Information about the Compound