Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 2HOK1JQ203

Structure

InChI Key IAJOMYABKVAZCN-AATRIKPKSA-N
Smile O=C(/C=C/c1ccc2ccc(C(F)(F)F)cc2n1)c1ccncc1
InChI
InChI=1S/C18H11F3N2O/c19-18(20,21)14-3-1-12-2-4-15(23-16(12)11-14)5-6-17(24)13-7-9-22-10-8-13/h1-11H/b6-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H11F3N2O
Molecular Weight 328.29
AlogP 4.54
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 42.85
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4303611
FDA SRS 2HOK1JQ203
SureChEMBL SCHEMBL15287558
ZINC ZINC000206068226