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Details

Stereochemistry ACHIRAL
Molecular Formula C18H14Cl2N4O
Molecular Weight 373.236
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIRA-0596

SMILES

CC1=C(C)C2=C(C3=C(C=C2)N=C(NC4=C(Cl)C=CC=C4Cl)N3)C(=O)N1

InChI

InChIKey=YDEDKRCWCCZXBE-UHFFFAOYSA-N
InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)

HIDE SMILES / InChI

Molecular Formula C18H14Cl2N4O
Molecular Weight 373.236
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Discovery of 2-phenylamino-imidazo[4,5-h]isoquinolin-9-ones: a new class of inhibitors of lck kinase.
2002 Aug 1
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:47:07 GMT 2023
Edited
by admin
on Sat Dec 16 18:47:07 GMT 2023
Record UNII
0U6QL95YQD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIRA-0596
Common Name English
9H-IMIDAZO(4,5-H)ISOQUINOLIN-9-ONE, 2-((2,6-DICHLOROPHENYL)AMINO)-1,8-DIHYDRO-6,7-DIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
10248747
Created by admin on Sat Dec 16 18:47:07 GMT 2023 , Edited by admin on Sat Dec 16 18:47:07 GMT 2023
PRIMARY
FDA UNII
0U6QL95YQD
Created by admin on Sat Dec 16 18:47:07 GMT 2023 , Edited by admin on Sat Dec 16 18:47:07 GMT 2023
PRIMARY
CAS
333455-11-1
Created by admin on Sat Dec 16 18:47:07 GMT 2023 , Edited by admin on Sat Dec 16 18:47:07 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY