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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16N6S2
Molecular Weight 380.49
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of U-0126

SMILES

N\C(SC1=CC=CC=C1N)=C(C#N)/C(C#N)=C(\N)SC2=C(N)C=CC=C2

InChI

InChIKey=DVEXZJFMOKTQEZ-JYFOCSDGSA-N
InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+

HIDE SMILES / InChI
Molecular Formula C18H16N6S2
Molecular Weight 380.49
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:05:06 UTC 2023
Edited
by admin
on Sat Dec 16 09:05:06 UTC 2023
Record UNII
8027P94HLL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
U-0126
Code English
U0126
Code English
FT-1069-1
Code English
1,4-DIAMINO-2,3-DICYANO-1,4-BIS(2-AMINOPHENYLTHIO)BUTADIENE
Common Name English
BUTANEDINITRILE, BIS(AMINO((2-AMINOPHENYL)THIO)METHYLENE)-, (2Z,3Z)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2149
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
FDA ORPHAN DRUG 593217
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
EU-Orphan Drug EU/3/17/1935
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
Code System Code Type Description
PUBCHEM
3006531
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
FDA UNII
8027P94HLL
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
CAS
109511-58-2
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID4040470
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
EVMPD
SUB192758
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
SMS_ID
100000177388
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
NCI_THESAURUS
C1825
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
CHEBI
90693
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
WIKIPEDIA
U0126
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
CAS
218601-62-8
Created by admin on Sat Dec 16 09:05:07 UTC 2023 , Edited by admin on Sat Dec 16 09:05:07 UTC 2023
PRIMARY
Related Record Type Details
MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 2
TARGET -> INHIBITOR
IC50
DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
TARGET -> INHIBITOR
IC50
Related Record Type Details
Structure of U-0126
ACTIVE MOIETY
NIH
NCATS
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