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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H19N3O3
Molecular Weight 361.3939
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RP-100798

SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@H](O)C4=CC=C3)C#N

InChI

InChIKey=KOBRJNRHIIDYMK-SFHVURJKSA-N
InChI=1S/C21H19N3O3/c1-12(2)26-19-9-6-13(10-14(19)11-22)21-23-20(24-27-21)17-5-3-4-16-15(17)7-8-18(16)25/h3-6,9-10,12,18,25H,7-8H2,1-2H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H19N3O3
Molecular Weight 361.3939
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:36:41 GMT 2023
Edited
by admin
on Sat Dec 16 16:36:41 GMT 2023
Record UNII
KYS7WW026H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RP-100798
Code English
5-(3-((1S)-2,3-DIHYDRO-1-HYDROXY-1H-INDEN-4-YL)-1,2,4-OXADIAZOL-5-YL)-2-(1-METHYLETHOXY)BENZONITRILE
Systematic Name English
BENZONITRILE, 5-(3-((1S)-2,3-DIHYDRO-1-HYDROXY-1H-INDEN-4-YL)-1,2,4-OXADIAZOL-5-YL)-2-(1-METHYLETHOXY)-
Systematic Name English
RP100798
Code English
CC1084037
Code English
Code System Code Type Description
PUBCHEM
52939050
Created by admin on Sat Dec 16 16:36:41 GMT 2023 , Edited by admin on Sat Dec 16 16:36:41 GMT 2023
PRIMARY
FDA UNII
KYS7WW026H
Created by admin on Sat Dec 16 16:36:41 GMT 2023 , Edited by admin on Sat Dec 16 16:36:41 GMT 2023
PRIMARY
CAS
1306760-60-0
Created by admin on Sat Dec 16 16:36:41 GMT 2023 , Edited by admin on Sat Dec 16 16:36:41 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SELECTIVE
TARGET -> AGONIST
SELECTIVE
BINDER->LIGAND
BINDING
Related Record Type Details
PARENT -> METABOLITE ACTIVE
PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC