General Information of the Compound
| Compound ID |
CP0429859
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| Compound Name |
(1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicyclo[3.2.1]octan-3-one O-benzyl oxime
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| Formula |
C24H30N2O3S
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| Molecular Weight |
426.582
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C\C(C2)=N\OCc1ccccc1
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| InChI |
InChI=1S/C24H30N2O3S/c1-24(2,3)19-9-13-23(14-10-19)30(27,28)26-21-11-12-22(26)16-20(15-21)25-29-17-18-7-5-4-6-8-18/h4-10,13-14,21-22H,11-12,15-17H2,1-3H3/b25-20-/t21-,22+/m1/s1
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| InChIKey |
NNQZXUXKOLWKBN-LINBVKNMSA-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1