General Information of the Compound
Compound ID
CP0666538
Compound Name
N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide
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Structure
Formula
C18H22N2O2S
Molecular Weight
330.453
Canonical SMILES
Cc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)cn1
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InChI
InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-9-15-7-6-14(8-17(15)10-18)16-5-4-13(3)19-11-16/h4-8,11-12,18,20H,9-10H2,1-3H3
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InChIKey
OCJKHBCJMIOPJS-UHFFFAOYSA-N
Physicochemical Property
logP
2.85202
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 11688520
SID: 16792851
ChEMBL ID
CHEMBL1214397
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: PT01829, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 3162.28 nM
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