General Information of the Compound
| Compound ID |
CP0373749
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| Compound Name |
(1S,4S)-2-methyl-5-(4-neopentylphenylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane
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| Structure |
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| Formula |
C17H26N2O2S
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| Molecular Weight |
322.474
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| Canonical SMILES |
CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1
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| InChI |
InChI=1S/C17H26N2O2S/c1-17(2,3)10-13-5-7-16(8-6-13)22(20,21)19-12-14-9-15(19)11-18(14)4/h5-8,14-15H,9-12H2,1-4H3/t14-,15-/m0/s1
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| InChIKey |
HDJSSAZLTKENCZ-GJZGRUSLSA-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