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Details

Stereochemistry ACHIRAL
Molecular Formula C17H15N7
Molecular Weight 317.3485
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PUQUITINIB

SMILES

c1cc2cc(ccc2nc1)Nc3nc4c(c(=NC5CC5)[nH]3)nc[nH]4

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 317.3485
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 Jun 26 04:37:41 UTC 2021
Edited
by admin
on Sat Jun 26 04:37:41 UTC 2021
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 Jun 26 04:37:41 UTC 2021 , Edited by admin on Sat Jun 26 04:37:41 UTC 2021
PRIMARY
CAS
916890-10-3
Created by admin on Sat Jun 26 04:37:41 UTC 2021 , Edited by admin on Sat Jun 26 04:37:41 UTC 2021
PRIMARY
FDA UNII
WFG29AB872
Created by admin on Sat Jun 26 04:37:41 UTC 2021 , Edited by admin on Sat Jun 26 04:37:41 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
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ACTIVE MOIETY