General Information of the Compound
| Compound ID |
CP0400290
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| Compound Name |
(1S,4S)-2-(4-tert-butylphenylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane
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| Structure |
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| Formula |
C15H22N2O2S
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| Molecular Weight |
294.42
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2
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| InChI |
InChI=1S/C15H22N2O2S/c1-15(2,3)11-4-6-14(7-5-11)20(18,19)17-10-12-8-13(17)9-16-12/h4-7,12-13,16H,8-10H2,1-3H3/t12-,13-/m0/s1
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| InChIKey |
NLRPQPISQZRZTP-STQMWFEESA-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