Structure

InChI Key TWLWOOPCEXYVBE-UHFFFAOYSA-N
Smile Cc1nc2ccc(F)cc2n1-c1nc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)n1
InChI
InChI=1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H13F5N6
Molecular Weight 420.35
AlogP 4.75
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 81.65
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Leiomyosarcoma 1 D007890 ClinicalTrials
Diffuse Intrinsic Pontine Glioma 1 D000080443 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4594353
FDA SRS Z4HZ70S62Q
SureChEMBL SCHEMBL15741319