Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H1VG379J2X

Structure

InChI Key UKOQVLAXCBRRGH-UHFFFAOYSA-N
Smile CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1
InChI
InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H20N4O3
Molecular Weight 364.41
AlogP 3.57
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 103.36
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 27.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL319669
DrugBank DB06532
FDA SRS H1VG379J2X
Guide to Pharmacology 10842
PubChem 459963
SureChEMBL SCHEMBL5143735
ZINC ZINC000006482036