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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12FN3OS
Molecular Weight 265.307
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-41-1049

SMILES

NCCNC(=O)C1=C(SC=N1)C2=CC(F)=CC=C2

InChI

InChIKey=SCKBPXUWGMKLDM-UHFFFAOYSA-N
InChI=1S/C12H12FN3OS/c13-9-3-1-2-8(6-9)11-10(16-7-18-11)12(17)15-5-4-14/h1-3,6-7H,4-5,14H2,(H,15,17)

HIDE SMILES / InChI

Molecular Formula C12H12FN3OS
Molecular Weight 265.307
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Differential substrate specificity of monoamine oxidase in the rat heart and renal cortex.
2003 Jul 11
Up-regulation of the isoenzymes MAO-A and MAO-B in the human basal ganglia and pons in Huntington's disease revealed by quantitative enzyme radioautography.
2011 Jan 25
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:39:16 GMT 2023
Edited
by admin
on Fri Dec 15 19:39:16 GMT 2023
Record UNII
40Y4916ZJ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-41-1049
Common Name English
4-THIAZOLECARBOXAMIDE, N-(2-AMINOETHYL)-5-(3-FLUOROPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5086
Created by admin on Fri Dec 15 19:39:17 GMT 2023 , Edited by admin on Fri Dec 15 19:39:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID10155590
Created by admin on Fri Dec 15 19:39:17 GMT 2023 , Edited by admin on Fri Dec 15 19:39:17 GMT 2023
PRIMARY
CAS
127500-84-9
Created by admin on Fri Dec 15 19:39:16 GMT 2023 , Edited by admin on Fri Dec 15 19:39:16 GMT 2023
PRIMARY
FDA UNII
40Y4916ZJ4
Created by admin on Fri Dec 15 19:39:17 GMT 2023 , Edited by admin on Fri Dec 15 19:39:17 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
IC50
LABELED -> NON-LABELED
Related Record Type Details
ACTIVE MOIETY