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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H26N6O2
Molecular Weight 406.4808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-582949

SMILES

CCCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NC4CC4)C2=C1C

InChI

InChIKey=GDTQLZHHDRRBEB-UHFFFAOYSA-N
InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)

HIDE SMILES / InChI

Molecular Formula C22H26N6O2
Molecular Weight 406.4808
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 Fri Dec 15 18:14:25 UTC 2023
Edited
by admin
on Fri Dec 15 18:14:25 UTC 2023
Record UNII
CR743OME9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-582949
Common Name English
PYRROLO(2,1-F)(1,2,4)TRIAZINE-6-CARBOXAMIDE, 4-((5-((CYCLOPROPYLAMINO)CARBONYL)-2-METHYLPHENYL)AMINO)-5-METHYL-N-PROPYL-
Systematic Name English
PS-540446
Code English
BMS 582949
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL1230065
Created by admin on Fri Dec 15 18:14:25 UTC 2023 , Edited by admin on Fri Dec 15 18:14:25 UTC 2023
PRIMARY
CAS
623152-17-0
Created by admin on Fri Dec 15 18:14:25 UTC 2023 , Edited by admin on Fri Dec 15 18:14:25 UTC 2023
PRIMARY
SMS_ID
100000175606
Created by admin on Fri Dec 15 18:14:25 UTC 2023 , Edited by admin on Fri Dec 15 18:14:25 UTC 2023
PRIMARY
FDA UNII
CR743OME9E
Created by admin on Fri Dec 15 18:14:25 UTC 2023 , Edited by admin on Fri Dec 15 18:14:25 UTC 2023
PRIMARY
DRUG BANK
DB12696
Created by admin on Fri Dec 15 18:14:25 UTC 2023 , Edited by admin on Fri Dec 15 18:14:25 UTC 2023
PRIMARY
PUBCHEM
10409068
Created by admin on Fri Dec 15 18:14:25 UTC 2023 , Edited by admin on Fri Dec 15 18:14:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID90211380
Created by admin on Fri Dec 15 18:14:25 UTC 2023 , Edited by admin on Fri Dec 15 18:14:25 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY