General Information of the Compound
Compound ID
CP0213717
Compound Name
N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide
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Structure
Formula
C21H18N2O4S
Molecular Weight
394.452
Canonical SMILES
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
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InChI
InChI=1S/C21H18N2O4S/c1-15(24)22-17-11-13-18(14-12-17)28(26,27)23-20-10-6-5-9-19(20)21(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,22,24)
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InChIKey
UNLFTWXGUFGGQA-UHFFFAOYSA-N
Physicochemical Property
logP
3.6768
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
92.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 4227718
ChEMBL ID
CHEMBL471371
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: PT01032, B1 bradykinin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 45 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 45 nM