General Information of the Compound
| Compound ID |
CP0400295
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| Compound Name |
(1R,5S)-tert-butyl 3-(4-tert-butylphenylsulfonyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C21H32N2O4S
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| Molecular Weight |
408.564
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| Canonical SMILES |
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C21H32N2O4S/c1-20(2,3)15-7-11-18(12-8-15)28(25,26)22-13-16-9-10-17(14-22)23(16)19(24)27-21(4,5)6/h7-8,11-12,16-17H,9-10,13-14H2,1-6H3/t16-,17+
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| InChIKey |
ITNAVXKZRXMAMT-CALCHBBNSA-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