Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01MA13
UNII: 9F388J00UK

Structure

InChI Key WVPSKSLAZQPAKQ-CDMJZVDBSA-N
Smile N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12
InChI
InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H15F3N4O3
Molecular Weight 416.36
AlogP 1.89
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 101.45
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 9763
ChEMBL CHEMBL428
DrugBank DB00685
DrugCentral 2777
EPA CompTox DTXSID0041145
FDA SRS 9F388J00UK
KEGG C07664
PDB TR6
SureChEMBL SCHEMBL34465
ZINC ZINC000100030989