Structure

InChI Key DDVJEYDLTXRYAJ-UHFFFAOYSA-N
Smile CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1.Cl
InChI
InChI=1S/C21H18F3N3O3.ClH/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23;/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19ClF3N3O3
Molecular Weight 453.85
AlogP 2.9
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 74.57
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial DNA gyrase inhibitor PubMed PubMed PubMed PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107495
FDA SRS OC5IGJ7J6I
PubChem 60020
SureChEMBL SCHEMBL134293