KR-32568

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12FN3O2
Molecular Weight	261.2517
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(F)C=C1C2=CC=C(O2)C(=O)NC(N)=N

InChI

InChIKey=DTLDHYBZLVASJQ-UHFFFAOYSA-N

InChI=1S/C13H12FN3O2/c1-7-2-3-8(14)6-9(7)10-4-5-11(19-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula	C13H12FN3O2
Molecular Weight	261.2517
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sodium/hydrogen exchanger 1 12 Target ID: CHEMBL2781 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15828827	Inhibitor 8297		230.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:49:43 GMT 2023` Edited by `admin` on `Sat Dec 16 09:49:43 GMT 2023`
Record UNII	QJ7D8A9YGY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KR-32568

Common Name

English

N-(DIAMINOMETHYLIDENE)-5-(5-FLUORO-2-METHYLPHENYL)FURAN-2-CARBOXAMIDE

Systematic Name

English

(5-(2-METHYL-5-FLUOROPHENYL)FURAN-2-YLCARBONYL)GUANIDINE

Systematic Name

English

2-FURANCARBOXAMIDE, N-(AMINOIMINOMETHYL)-5-(5-FLUORO-2-METHYLPHENYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

QJ7D8A9YGY

Created by admin on Sat Dec 16 09:49:43 GMT 2023 , Edited by admin on Sat Dec 16 09:49:43 GMT 2023

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EPA CompTox

DTXSID60463814

Created by admin on Sat Dec 16 09:49:43 GMT 2023 , Edited by admin on Sat Dec 16 09:49:43 GMT 2023

PRIMARY

CAS

852146-73-7

Created by admin on Sat Dec 16 09:49:43 GMT 2023 , Edited by admin on Sat Dec 16 09:49:43 GMT 2023

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PUBCHEM

11368995

Created by admin on Sat Dec 16 09:49:43 GMT 2023 , Edited by admin on Sat Dec 16 09:49:43 GMT 2023

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Related Record Type Details


					QJ7D8A9YGY

KR-32568

ACTIVE MOIETY