General Information of the Compound
| Compound ID |
CP0089326
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| Compound Name |
1-(4-methoxyphenylsulfonyl)-4-phenylazepan-4-ol
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| Synonyms |
1-(4-methoxyphenylsulfonyl)-4-phenylazepan-4-ol
CHEMBL561076
SCHEMBL12549973
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| Structure |
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| Formula |
C19H23NO4S
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| Molecular Weight |
361.463
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCCC(O)(CC1)c1ccccc1
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| InChI |
InChI=1S/C19H23NO4S/c1-24-17-8-10-18(11-9-17)25(22,23)20-14-5-12-19(21,13-15-20)16-6-3-2-4-7-16/h2-4,6-11,21H,5,12-15H2,1H3
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| InChIKey |
CTMRNVLOBOSBEA-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