General Information of the Compound
Compound ID
CP0854807
Compound Name
N-(3-(3-(4-chlorophenyl)pentan-3-yl)-1H-indol-7-yl)methanesulfonamide
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Structure
Formula
C20H23ClN2O2S
Molecular Weight
390.936
Canonical SMILES
CCC(CC)(c1ccc(Cl)cc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12
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InChI
InChI=1S/C20H23ClN2O2S/c1-4-20(5-2,14-9-11-15(21)12-10-14)17-13-22-19-16(17)7-6-8-18(19)23-26(3,24)25/h6-13,22-23H,4-5H2,1-3H3
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InChIKey
PWZFNNKBWAZVOC-UHFFFAOYSA-N
Physicochemical Property
logP
5.2989
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 58731202
ChEMBL ID
CHEMBL4074653
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: PT01154, Mineralocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki <= 500 nM
   TI
   LI
   LO
   TS