General Information of the Compound
| Compound ID |
CP0496192
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| Compound Name |
N-butyl-4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide
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| Structure |
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| Formula |
C25H33ClN2O3S
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| Molecular Weight |
477.07
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| Canonical SMILES |
CCCCN(C1CCCCCC1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C25H33ClN2O3S/c1-2-3-17-28(23-10-6-4-5-7-11-23)25(29)21-15-13-20(14-16-21)19-27-32(30,31)24-12-8-9-22(26)18-24/h8-9,12-16,18,23,27H,2-7,10-11,17,19H2,1H3
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| InChIKey |
ACFPACQQCZIIAG-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