Structure

InChI Key AMTQCENHQIDBHQ-UHFFFAOYSA-N
Smile COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1
InChI
InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34N4O5S
Molecular Weight 502.64
AlogP 1.96
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 100.54
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Bradykinin B1 receptor antagonist PubMed Other

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1254771
EPA CompTox DTXSID20212769
FDA SRS 02HU8HWP7U
PubChem 11953367
SureChEMBL SCHEMBL1723565