SUPINOXIN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZU8OM8V5WF

Structure
InChI Key KAKPGJJRYRYSTP-UHFFFAOYSA-N
Smile COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)c1
InChI
InChI=1S/C22H24FN5O4/c1-30-16-11-15(12-17(13-16)31-2)27-6-8-28(9-7-27)22(29)26-20-21(32-3)25-18-5-4-14(23)10-19(18)24-20/h4-5,10-13H,6-9H2,1-3H3,(H,24,26,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24FN5O4
Molecular Weight 441.46
AlogP 3.15
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 89.05
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 1 D001943 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1278118
FDA SRS ZU8OM8V5WF
SureChEMBL SCHEMBL1137972
ZINC ZINC000043130417
CONTENTS