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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28N6O3
Molecular Weight 460.5292
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-181885

SMILES

Cc1c(c(=O)c1=O)Nc2ccc3c(c2)c(CCCN4CCN(CC4)c5c(cncn5)OC)c[nH]3

InChI

InChIKey=HCXROGVQIBVJTA-UHFFFAOYSA-N
InChI=1S/C25H28N6O3/c1-16-22(24(33)23(16)32)29-18-5-6-20-19(12-18)17(13-27-20)4-3-7-30-8-10-31(11-9-30)25-21(34-2)14-26-15-28-25/h5-6,12-15,27,29H,3-4,7-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C25H28N6O3
Molecular Weight 460.5292
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 12:09:32 UTC 2021
Edited
by admin
on Sat Jun 26 12:09:32 UTC 2021
Record UNII
R51CRO65DC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-181885
Code English
3-((3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-1H-INDOL-5-YL)AMINO)-4-METHYL-3-CYCLOBUTEN-1,2-DIONE
Systematic Name English
3-CYCLOBUTENE-1,2-DIONE, 3-((3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-1H-INDOL-5-YL)AMINO)-4-METHYL-
Systematic Name English
Code System Code Type Description
CAS
165250-47-5
Created by admin on Sat Jun 26 12:09:32 UTC 2021 , Edited by admin on Sat Jun 26 12:09:32 UTC 2021
PRIMARY
PUBCHEM
153988
Created by admin on Sat Jun 26 12:09:32 UTC 2021 , Edited by admin on Sat Jun 26 12:09:32 UTC 2021
PRIMARY
FDA UNII
R51CRO65DC
Created by admin on Sat Jun 26 12:09:32 UTC 2021 , Edited by admin on Sat Jun 26 12:09:32 UTC 2021
PRIMARY
EPA CompTox
165250-47-5
Created by admin on Sat Jun 26 12:09:32 UTC 2021 , Edited by admin on Sat Jun 26 12:09:32 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY