General Information of the Compound
Compound ID
CP0307636
Compound Name
oxolan-2-ylmethyl N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]carbamate
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Structure
Formula
C25H24N2O6S
Molecular Weight
480.542
Canonical SMILES
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1)OCC1CCCO1
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InChI
InChI=1S/C25H24N2O6S/c28-24(18-7-2-1-3-8-18)22-10-4-5-11-23(22)27-34(30,31)21-14-12-19(13-15-21)26-25(29)33-17-20-9-6-16-32-20/h1-5,7-8,10-15,20,27H,6,9,16-17H2,(H,26,29)
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InChIKey
KEPWZYCHQXYTEN-UHFFFAOYSA-N
Physicochemical Property
logP
4.4459
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
110.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 24893993
SID: 53776602
ChEMBL ID
CHEMBL454085
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 = 0.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.7 nM