General Information of the Compound
| Compound ID |
CP0400289
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| Compound Name |
(1S,4S)-tert-butyl 5-(4-tert-butylphenylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
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| Structure |
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| Formula |
C20H30N2O4S
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| Molecular Weight |
394.537
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| Canonical SMILES |
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C20H30N2O4S/c1-19(2,3)14-7-9-17(10-8-14)27(24,25)22-13-15-11-16(22)12-21(15)18(23)26-20(4,5)6/h7-10,15-16H,11-13H2,1-6H3/t15-,16-/m0/s1
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| InChIKey |
SRPZEFNNDSQZCP-HOTGVXAUSA-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