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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28N2O2
Molecular Weight 364.4806
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-2879552

SMILES

OC(=O)C1=CC=C(CN2CCC(CN[C@@H]3C[C@H]3C4=CC=CC=C4)CC2)C=C1

InChI

InChIKey=LRULVYSBRWUVGR-FCHUYYIVSA-N
InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28N2O2
Molecular Weight 364.4806
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:08:44 UTC 2023
Edited
by admin
on Sat Dec 16 10:08:44 UTC 2023
Record UNII
GT77Z6Y09Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-2879552
Common Name English
4-((4-((((1R,2S)-2-PHENYLCYCLOPROPYL)AMINO)METHYL)PIPERIDIN-1-YL)METHYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-((4-((((1R,2S)-2-PHENYLCYCLOPROPYL)AMINO)METHYL)-1-PIPERIDINYL)METHYL)-
Systematic Name English
GSK 2879552 [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
66571643
Created by admin on Sat Dec 16 10:08:44 UTC 2023 , Edited by admin on Sat Dec 16 10:08:44 UTC 2023
PRIMARY
FDA UNII
GT77Z6Y09Z
Created by admin on Sat Dec 16 10:08:44 UTC 2023 , Edited by admin on Sat Dec 16 10:08:44 UTC 2023
PRIMARY
SMS_ID
100000175607
Created by admin on Sat Dec 16 10:08:44 UTC 2023 , Edited by admin on Sat Dec 16 10:08:44 UTC 2023
PRIMARY
CAS
1401966-69-5
Created by admin on Sat Dec 16 10:08:44 UTC 2023 , Edited by admin on Sat Dec 16 10:08:44 UTC 2023
PRIMARY
CHEBI
176334
Created by admin on Sat Dec 16 10:08:44 UTC 2023 , Edited by admin on Sat Dec 16 10:08:44 UTC 2023
PRIMARY
CAS
1401966-63-9
Created by admin on Sat Dec 16 10:08:44 UTC 2023 , Edited by admin on Sat Dec 16 10:08:44 UTC 2023
ALTERNATIVE
Related Record Type Details
TARGET -> INHIBITOR
IRREVERSIBLE INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY