GSK-598809

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23F4N5OS
Molecular Weight	481.5114
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cc1c(-c2nnc(n2C)SCCCN3C[C@]4([H])C[C@@]4(C3)c5ccc(cc5F)C(F)(F)F)ocn1

InChI

InChIKey=ZKRWPAYTJMRKLJ-BTYIYWSLSA-N

InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3/t15-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H23F4N5OS
Molecular Weight	481.5114
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 `Fri Jun 25 22:45:11 UTC 2021` Edited by `admin` on `Fri Jun 25 22:45:11 UTC 2021`
Record UNII	Y5OZ63HC3V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GSK-598809

Code

English

5-(5-((3-((1S,5R)-1-(2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)-5-METHYL-3-AZABICYCLO(3.1.0)HEXAN-3-YL)PROPYL)THIO)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-4-METHYLOXAZOLE

Systematic Name

English

(1S,5R)-1-(2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)-3-(3-((4-METHYL-5-(4-METHYL-1,3-OXAZOL-5-YL)-4H-1,2,4-TRIAZOL-3-YL)THIO)PROPYL)-3-AZABICYCLO(3.1.0)HEXANE

Common Name

English

Code System Code Type Description

CAS

863680-45-9

Created by admin on Fri Jun 25 22:45:11 UTC 2021 , Edited by admin on Fri Jun 25 22:45:11 UTC 2021

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

1310803-30-5

Created by admin on Fri Jun 25 22:45:11 UTC 2021 , Edited by admin on Fri Jun 25 22:45:11 UTC 2021

PRIMARY

PUBCHEM