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

Details

Stereochemistry ACHIRAL
Molecular Formula C29H28N4O3S
Molecular Weight 512.6248
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(METHYL-(4-(8-QUINOLYL-(1-(THIAZOL-4-YLMETHYL)-4-PIPERIDYLIDENE)METHYL)BENZOYL)AMINO)ACETIC ACID

SMILES

CN(CC(=O)O)C(=O)c1ccc(cc1)C(=C2CCN(CC2)Cc3cscn3)c4cccc5cccnc54

InChI

InChIKey=FKMPCCCNMDWMIP-UHFFFAOYSA-N
InChI=1S/C29H28N4O3S/c1-32(17-26(34)35)29(36)23-9-7-20(8-10-23)27(25-6-2-4-22-5-3-13-30-28(22)25)21-11-14-33(15-12-21)16-24-18-37-19-31-24/h2-10,13,18-19H,11-12,14-17H2,1H3,(H,34,35)

HIDE SMILES / InChI

Molecular Formula C29H28N4O3S
Molecular Weight 512.6248
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 13:28:40 UTC 2021
Edited
by admin
on Sat Jun 26 13:28:40 UTC 2021
Record UNII
3BP9PEN3LQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(METHYL-(4-(8-QUINOLYL-(1-(THIAZOL-4-YLMETHYL)-4-PIPERIDYLIDENE)METHYL)BENZOYL)AMINO)ACETIC ACID
Systematic Name English
2-(N-METHYL-4-(QUINOLIN-8-YL(1-(THIAZOL-4-YLMETHYL)PIPERIDIN-4-YLIDENE) METHYL)BENZAMIDO)ACETIC ACID
Systematic Name English
AZD-7268 METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
154584978
Created by admin on Sat Jun 26 13:28:40 UTC 2021 , Edited by admin on Sat Jun 26 13:28:40 UTC 2021
PRIMARY
FDA UNII
3BP9PEN3LQ
Created by admin on Sat Jun 26 13:28:40 UTC 2021 , Edited by admin on Sat Jun 26 13:28:40 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO
MAJOR