Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: C0Z095LL72

Structure

InChI Key VDZZYOJYLLNBTD-UHFFFAOYSA-N
Smile COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCO)c3)nc2)c1F
InChI
InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19F2N5O4
Molecular Weight 407.38
AlogP 2.28
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 103.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4594428
FDA SRS C0Z095LL72
PubChem 71736582
SureChEMBL SCHEMBL15244449