SALUBRINAL

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H17Cl3N4OS
Molecular Weight	479.81
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC(Cl)(Cl)C(NC(=O)\C=C\C1=CC=CC=C1)NC(=S)NC2=CC=CC3=C2N=CC=C3

InChI

InChIKey=LCOIAYJMPKXARU-VAWYXSNFSA-N

InChI=1S/C21H17Cl3N4OS/c22-21(23,24)19(27-17(29)12-11-14-6-2-1-3-7-14)28-20(30)26-16-10-4-8-15-9-5-13-25-18(15)16/h1-13,19H,(H,27,29)(H2,26,28,30)/b12-11+

HIDE SMILES / InChI

Molecular Formula	C21H17Cl3N4OS
Molecular Weight	479.81
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit 1 Target ID: P36873 Gene ID: 5501.0 Gene Symbol: PPP1CC Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/15705855 \| https://www.ncbi.nlm.nih.gov/pubmed/19129918	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:37:09 GMT 2023` Edited by `admin` on `Sat Dec 16 18:37:09 GMT 2023`
Record UNII	J8PSF5Z8KJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SALUBRINAL

Common Name

English

(E)-N-(2,2,2-Trichloro-1-(3-(quinolin-8-yl)thioureido)ethyl)cinnamamide

Systematic Name

English

2-Propenamide, 3-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-

Systematic Name

English

2-PROPENAMIDE, 3-PHENYL-N-(2,2,2-TRICHLORO-1-(((8-QUINOLINYLAMINO)THIOXOMETHYL)AMINO)ETHYL)-, (2E)-

Systematic Name

English

(2E)-3-PHENYL-N-(2,2,2-TRICHLORO-1-(((8-QUINOLINYLAMINO)THIOXOMETHYL)AMINO)ETHYL)-2-PROPENAMIDE

Systematic Name

English

3-Phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]-2-propenamide

Systematic Name

English

Code System Code Type Description

CAS

304475-63-6