IACS-010759

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H25F3N6O4S
Molecular Weight	562.564
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NC(=NN1CC2=CC=CC(=C2)N3CCC(CC3)S(C)(=O)=O)C4=NC(=NO4)C5=CC=C(OC(F)(F)F)C=C5

InChI

InChIKey=HWJWNWZJUYCGKV-UHFFFAOYSA-N

InChI=1S/C25H25F3N6O4S/c1-16-29-23(24-30-22(32-38-24)18-6-8-20(9-7-18)37-25(26,27)28)31-34(16)15-17-4-3-5-19(14-17)33-12-10-21(11-13-33)39(2,35)36/h3-9,14,21H,10-13,15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C25H25F3N6O4S
Molecular Weight	562.564
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:49:39 GMT 2023` Edited by `admin` on `Sat Dec 16 09:49:39 GMT 2023`
Record UNII	42W52V11DJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IACS-010759

Code

English

IACS 010759 [WHO-DD]

Common Name

English

IACS-10759

Code

English

OXIDATIVE PHOSPHORYLATION INHIBITOR IACS-010759

Common Name

English

PIPERIDINE, 4-(METHYLSULFONYL)-1-(3-((5-METHYL-3-(3-(4-(TRIFLUOROMETHOXY)PHENYL)-1,2,4-OXADIAZOL-5-YL)-1H-1,2,4-TRIAZOL-1-YL)METHYL)PHENYL)-

Systematic Name

English

5-(5-METHYL-1-(3-(4-(METHYLSULFONYL)PIPERIDIN-1-YL)BENZYL)-1H-1,2,4-TRIAZOL-3-YL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)-1,2,4-OXADIAZOLE

Systematic Name

English

Code System Code Type Description

PUBCHEM

86711931

Created by admin on Sat Dec 16 09:49:39 GMT 2023 , Edited by admin on Sat Dec 16 09:49:39 GMT 2023

PRIMARY

CAS

1570496-34-2

Created by admin on Sat Dec 16 09:49:39 GMT 2023 , Edited by admin on Sat Dec 16 09:49:39 GMT 2023

PRIMARY

NCI_THESAURUS

C130012

Created by admin on Sat Dec 16 09:49:39 GMT 2023 , Edited by admin on Sat Dec 16 09:49:39 GMT 2023

PRIMARY

FDA UNII

42W52V11DJ

Created by admin on Sat Dec 16 09:49:39 GMT 2023 , Edited by admin on Sat Dec 16 09:49:39 GMT 2023

PRIMARY

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IACS-010759 HYDROCHLORIDE

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					42W52V11DJ

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ACTIVE MOIETY