General Information of the Compound
| Compound ID |
CP0529109
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| Compound Name |
(1R,5S)-3-(4-tert-butylphenylsulfonyl)-8-cyclopentyl-3,8-diazabicyclo[3.2.1]octane
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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]2CC[C@H](C1)N2C1CCCC1
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| InChI |
InChI=1S/C21H32N2O2S/c1-21(2,3)16-8-12-20(13-9-16)26(24,25)22-14-18-10-11-19(15-22)23(18)17-6-4-5-7-17/h8-9,12-13,17-19H,4-7,10-11,14-15H2,1-3H3/t18-,19+
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| InChIKey |
MGJPRRTVLNDLQA-KDURUIRLSA-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