General Information of the Compound
| Compound ID |
CP0529110
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| Compound Name |
(1R,5S)-8-(4-tert-butylphenylsulfonyl)-3-methoxy-3-methyl-8-azabicyclo[3.2.1]octane
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| Structure |
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| Formula |
C19H29NO3S
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| Molecular Weight |
351.512
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| Canonical SMILES |
COC1(C)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C19H29NO3S/c1-18(2,3)14-6-10-17(11-7-14)24(21,22)20-15-8-9-16(20)13-19(4,12-15)23-5/h6-7,10-11,15-16H,8-9,12-13H2,1-5H3/t15-,16+,19?
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| InChIKey |
GVLLBSGDOGQODH-MCPYQZEQSA-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