K-00546

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H13F2N7O2S2
Molecular Weight	425.436
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of K-00546

Structure Search

SMILES

NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC3=C(F)C=CC=C3F

InChI

InChIKey=ARIOBGGRZJITQX-UHFFFAOYSA-N

InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)

HIDE SMILES / InChI

Molecular Formula	C15H13F2N7O2S2
Molecular Weight	425.436
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 12:19:54 UTC 2023` Edited by `admin` on `Sat Dec 16 12:19:54 UTC 2023`
Record UNII	LFR1253W75
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

K-00546

Common Name

English

CDK1/2 INHIBITOR III

Common Name

English

5-AMINO-3-((4(AMINOSULFONYL)PHENYL)AMINO)-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE

Systematic Name

English

1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, 5-AMINO-3-((4-(AMINOSULFONYL)PHENYL)AMINO)-N-(2,6-DIFLUOROPHENYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

LFR1253W75

Created by admin on Sat Dec 16 12:19:54 UTC 2023 , Edited by admin on Sat Dec 16 12:19:54 UTC 2023

PRIMARY

CAS

443798-47-8

Created by admin on Sat Dec 16 12:19:54 UTC 2023 , Edited by admin on Sat Dec 16 12:19:54 UTC 2023

PRIMARY

DRUG BANK

DB07664

Created by admin on Sat Dec 16 12:19:54 UTC 2023 , Edited by admin on Sat Dec 16 12:19:54 UTC 2023

PRIMARY

PUBCHEM

5330812

Created by admin on Sat Dec 16 12:19:54 UTC 2023 , Edited by admin on Sat Dec 16 12:19:54 UTC 2023

PRIMARY

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