General Information of the Compound
Compound ID
CP0234009
Compound Name
N-[5-(2-fluoropyridin-3-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
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Structure
Formula
C17H19FN2O2S
Molecular Weight
334.416
Canonical SMILES
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1F
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InChI
InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-15-9-12-5-6-13(8-14(12)10-15)16-4-3-7-19-17(16)18/h3-8,11,15,20H,9-10H2,1-2H3
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InChIKey
IYSOHQIRVSYPNJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.6827
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: 11709762
SID: 16814591
ChEMBL ID
CHEMBL1214337
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 = 15848.93 nM
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