General Information of the Compound
| Compound ID |
CP0845322
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| Compound Name |
(1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicyclo[3.2.1]octan-3-one oxime
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| Formula |
C17H24N2O3S
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| Molecular Weight |
336.457
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| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C/C(=N\O)C3)cc1
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| InChI |
InChI=1S/C17H24N2O3S/c1-17(2,3)12-4-8-16(9-5-12)23(21,22)19-14-6-7-15(19)11-13(10-14)18-20/h4-5,8-9,14-15,20H,6-7,10-11H2,1-3H3/b18-13-/t14-,15+/m1/s1
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| InChIKey |
SEMWXURVIGHDAB-BDEOENBDSA-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
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1