General Information of the Compound
Compound ID
CP0851417
Compound Name
N-(3-(1-cyclopropyl-1-p-tolylethyl)-1H-indol-7-yl)methanesulfonamide
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Structure
Formula
C21H24N2O2S
Molecular Weight
368.502
Canonical SMILES
Cc1ccc(C(C)(c2c[nH]c3c(NS(C)(=O)=O)cccc23)C2CC2)cc1
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InChI
InChI=1S/C21H24N2O2S/c1-14-7-9-15(10-8-14)21(2,16-11-12-16)18-13-22-20-17(18)5-4-6-19(20)23-26(3,24)25/h4-10,13,16,22-23H,11-12H2,1-3H3
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InChIKey
BIHSEQOJWWXWOI-UHFFFAOYSA-N
Physicochemical Property
logP
4.56382
Rotatable Bonds
5
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: 58731245
ChEMBL ID
CHEMBL4098906
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: PT00967, Glucocorticoid 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
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