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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H14FN5OS
Molecular Weight 367.4
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATABECESTAT

SMILES

C[C@]1(C=CSC(N)=N1)C2=CC(NC(=O)C3=NC=C(C=C3)C#N)=CC=C2F

InChI

InChIKey=VLLFGVHGKLDDLW-SFHVURJKSA-N
InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H14FN5OS
Molecular Weight 367.4
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 10:48:05 UTC 2023
Edited
by admin
on Sat Dec 16 10:48:05 UTC 2023
Record UNII
2834W8D6GK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATABECESTAT
INN   USAN  
Official Name English
N-(3-((4S)-2-AMINO-4-METHYL-4H-1,3-THIAZIN-4-YL)-4-FLUOROPHENYL)-5- CYANOPYRIDINE-2-CARBOXAMIDE
Systematic Name English
2-PYRIDINECARBOXAMIDE, N-(3-((4S)-2-AMINO-4-METHYL-4H-1,3-THIAZIN-4-YL)-4-FLUOROPHENYL)-5-CYANO-
Systematic Name English
JNJ-54861911
Code English
ATABECESTAT [USAN]
Common Name English
RSC-385896
Code English
atabecestat [INN]
Common Name English
JNJ-54861911-AAA
Code English
Code System Code Type Description
NCI_THESAURUS
C166553
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
PRIMARY
DRUG BANK
DB15307
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
PRIMARY
PUBCHEM
68254185
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
PRIMARY
INN
10650
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
PRIMARY
FDA UNII
2834W8D6GK
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
PRIMARY
USAN
FG-54
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
PRIMARY
SMS_ID
100000177913
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
PRIMARY
CAS
1972652-51-9
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
NO STRUCTURE GIVEN
CAS
1200493-78-2
Created by admin on Sat Dec 16 10:48:05 UTC 2023 , Edited by admin on Sat Dec 16 10:48:05 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY