Structure

InChI Key HDKWFBCPLKNOCK-SFHVURJKSA-N
Smile Cc1cc(C2=NO[C@@](c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)sc1C(=O)NCC(=O)NCC(F)(F)F
InChI
InChI=1S/C20H14Cl3F6N3O3S/c1-8-2-13(36-16(8)17(34)30-6-14(33)31-7-19(24,25)26)12-5-18(35-32-12,20(27,28)29)9-3-10(21)15(23)11(22)4-9/h2-4H,5-7H2,1H3,(H,30,34)(H,31,33)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H14Cl3F6N3O3S
Molecular Weight 596.76
AlogP 6.01
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 79.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Blepharitis 3 D001762 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3707310
FDA SRS HEH4938D7K
SureChEMBL SCHEMBL16860871
ZINC ZINC000141368345