General Information of the Compound
Compound ID
CP0454377
Compound Name
N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
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Structure
Formula
C19H24N2O3S
Molecular Weight
360.479
Canonical SMILES
CC(C)S(=O)(=O)NCC(C)c1ccc(NC(=O)c2ccccc2)cc1
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InChI
InChI=1S/C19H24N2O3S/c1-14(2)25(23,24)20-13-15(3)16-9-11-18(12-10-16)21-19(22)17-7-5-4-6-8-17/h4-12,14-15,20H,13H2,1-3H3,(H,21,22)
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InChIKey
SQLIWPPPMPRBNN-UHFFFAOYSA-N
Physicochemical Property
logP
3.3702
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 656707
SID: 15497272
ChEMBL ID
CHEMBL105076
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: PT03593, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 520 nM
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