General Information of the Compound
| Compound ID |
CP0382891
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| Compound Name |
(1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane
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| Structure |
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| Formula |
C21H32N2O2S
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| Molecular Weight |
376.566
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CCCCC1
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| InChI |
InChI=1S/C21H32N2O2S/c1-21(2,3)16-9-11-20(12-10-16)26(24,25)23-15-18-13-19(23)14-22(18)17-7-5-4-6-8-17/h9-12,17-19H,4-8,13-15H2,1-3H3/t18-,19-/m0/s1
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| InChIKey |
HUSMMHLJUIXAQJ-OALUTQOASA-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