General Information of the Compound
| Compound ID |
CP0504557
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| Compound Name |
(1R,5S,E)-8-(4-tert-butylphenylsulfonyl)-8-azabicyclo[3.2.1]octan-3-one O-methyl oxime
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| Formula |
C18H26N2O3S
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| Molecular Weight |
350.484
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| Canonical SMILES |
CO\N=C1/C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C18H26N2O3S/c1-18(2,3)13-5-9-17(10-6-13)24(21,22)20-15-7-8-16(20)12-14(11-15)19-23-4/h5-6,9-10,15-16H,7-8,11-12H2,1-4H3/b19-14-/t15-,16+/m1/s1
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| InChIKey |
YUQZZPSOWIVTTM-KYPGJACISA-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