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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H15N7
Molecular Weight 317.3479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PUQUITINIB

SMILES

C1CC1NC2=C3N=CNC3=NC(NC4=CC5=C(C=C4)N=CC=C5)=N2

InChI

InChIKey=QUTFBURLXCODBH-UHFFFAOYSA-N
InChI=1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24)

HIDE SMILES / InChI

Molecular Formula C17H15N7
Molecular Weight 317.3479
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 13:00:33 GMT 2023
Edited
by admin
on Sat Dec 16 13:00:33 GMT 2023
Record UNII
WFG29AB872
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PUQUITINIB
Common Name English
XC-302 FREE BASE
Code English
9H-PURINE-2,6-DIAMINE, N6-CYCLOPROPYL-N2-6-QUINOLINYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
15983184
Created by admin on Sat Dec 16 13:00:34 GMT 2023 , Edited by admin on Sat Dec 16 13:00:34 GMT 2023
PRIMARY
CAS
916890-10-3
Created by admin on Sat Dec 16 13:00:34 GMT 2023 , Edited by admin on Sat Dec 16 13:00:34 GMT 2023
PRIMARY
NCI_THESAURUS
C162555
Created by admin on Sat Dec 16 13:00:34 GMT 2023 , Edited by admin on Sat Dec 16 13:00:34 GMT 2023
PRIMARY
FDA UNII
WFG29AB872
Created by admin on Sat Dec 16 13:00:34 GMT 2023 , Edited by admin on Sat Dec 16 13:00:34 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
Related Record Type Details
ACTIVE MOIETY