General Information of the Compound
| Compound ID |
CP0455255
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| Compound Name |
4-[(3-Chlorophenylsulfonamido)methyl]-N-(1-adamantyl)benzamide
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| Structure |
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| Formula |
C24H27ClN2O3S
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| Molecular Weight |
459.011
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C24H27ClN2O3S/c25-21-2-1-3-22(11-21)31(29,30)26-15-16-4-6-20(7-5-16)23(28)27-24-12-17-8-18(13-24)10-19(9-17)14-24/h1-7,11,17-19,26H,8-10,12-15H2,(H,27,28)
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| InChIKey |
DITSVKMBGPBFDL-UHFFFAOYSA-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