U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H24FN3O6
Molecular Weight 517.5051
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-((6,7-DIMETHOXY-1-OXIDO-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE

SMILES

COC1=C(OC)C=C2C(=C1)C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC5=CC=C(F)C=C5)C=C3)=CC=[N+]2[O-]

InChI

InChIKey=FKJJTKYQXXLFPS-UHFFFAOYSA-N
InChI=1S/C28H24FN3O6/c1-36-24-15-21-22(16-25(24)37-2)32(35)14-11-23(21)38-20-9-7-19(8-10-20)31-27(34)28(12-13-28)26(33)30-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,30,33)(H,31,34)

HIDE SMILES / InChI

Molecular Formula C28H25FN3O6
Molecular Weight 518.513
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:34:04 GMT 2023
Edited
by admin
on Sat Dec 16 15:34:04 GMT 2023
Record UNII
LKX6L2LD4X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-((6,7-DIMETHOXY-1-OXIDO-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
Systematic Name English
1,1-CYCLOPROPANEDICARBOXAMIDE, N-(4-((6,7-DIMETHOXY-1-OXIDO-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-
Systematic Name English
CABOZANTINIB METABOLITE M19
Common Name English
EXEL-5162
Common Name English
Code System Code Type Description
CAS
1621681-63-7
Created by admin on Sat Dec 16 15:34:04 GMT 2023 , Edited by admin on Sat Dec 16 15:34:04 GMT 2023
PRIMARY
PUBCHEM
78325042
Created by admin on Sat Dec 16 15:34:04 GMT 2023 , Edited by admin on Sat Dec 16 15:34:04 GMT 2023
PRIMARY
FDA UNII
LKX6L2LD4X
Created by admin on Sat Dec 16 15:34:04 GMT 2023 , Edited by admin on Sat Dec 16 15:34:04 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC