2-(((2S)-1-(5-(4-FLUOROPHENYL)-2-METHYL-THIAZOLE-4-CARBONYL)-2-PIPERIDYL)METHYL)-5-HYDROXY-ISOQUINOLIN-1-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H24FN3O3S
Molecular Weight	477.55
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(((2S)-1-(5-(4-FLUOROPHENYL)-2-METHYL-THIAZOLE-4-CARBONYL)-2-PIPERIDYL)METHYL)-5-HYDROXY-ISOQUINOLIN-1-ONE

Structure Search

SMILES

CC1=NC(C(=O)N2CCCC[C@H]2CN3C=CC4=C(O)C=CC=C4C3=O)=C(S1)C5=CC=C(F)C=C5

InChI

InChIKey=GKLCFHOWTGKAFS-IBGZPJMESA-N

InChI=1S/C26H24FN3O3S/c1-16-28-23(24(34-16)17-8-10-18(27)11-9-17)26(33)30-13-3-2-5-19(30)15-29-14-12-20-21(25(29)32)6-4-7-22(20)31/h4,6-12,14,19,31H,2-3,5,13,15H2,1H3/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H24FN3O3S
Molecular Weight	477.55
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 16:03:21 GMT 2023` Edited by `admin` on `Sat Dec 16 16:03:21 GMT 2023`
Record UNII	U255MWN7R9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(((2S)-1-(5-(4-FLUOROPHENYL)-2-METHYL-THIAZOLE-4-CARBONYL)-2-PIPERIDYL)METHYL)-5-HYDROXY-ISOQUINOLIN-1-ONE

Systematic Name

English

SB-649868 METABOLITE M94

Common Name

English

Code System Code Type Description

FDA UNII

U255MWN7R9

Created by admin on Sat Dec 16 16:03:21 GMT 2023 , Edited by admin on Sat Dec 16 16:03:21 GMT 2023

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PUBCHEM

118753162

Created by admin on Sat Dec 16 16:03:21 GMT 2023 , Edited by admin on Sat Dec 16 16:03:21 GMT 2023

PRIMARY

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