General Information of the Compound
Compound ID
CP0497457
Compound Name
4-[(3-Chlorophenylsulfonamido)methyl]-N-cyclohexylbenzamide
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Structure
Formula
C20H23ClN2O3S
Molecular Weight
406.935
Canonical SMILES
Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCCC1
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InChI
InChI=1S/C20H23ClN2O3S/c21-17-5-4-8-19(13-17)27(25,26)22-14-15-9-11-16(12-10-15)20(24)23-18-6-2-1-3-7-18/h4-5,8-13,18,22H,1-3,6-7,14H2,(H,23,24)
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InChIKey
QDKLFGYXUROLBM-UHFFFAOYSA-N
Physicochemical Property
logP
3.881
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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).

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PubChem ID
CID: 45273834
ChEMBL ID
CHEMBL554346
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 302 nM
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Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 411 nM
   TI
   LI
   LO
   TS