Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 911T37M2WY

Structure

InChI Key ZXSGSFMORAILEY-HNNXBMFYSA-N
Smile O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2
InChI
InChI=1S/C19H15F3N4O5/c20-19(21,22)31-14-4-2-13(3-5-14)16-6-1-12(7-23-16)10-29-15-8-25-9-17(26(27)28)24-18(25)30-11-15/h1-7,9,15H,8,10-11H2/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15F3N4O5
Molecular Weight 436.35
AlogP 3.73
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 101.54
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tuberculosis 1 D014376 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
ChEMBL CHEMBL1630563
FDA SRS 911T37M2WY
PubChem 49836057
SureChEMBL SCHEMBL508426
ZINC ZINC000066252280