[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]sulfamic acid

Details

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Internal ID a1d0e614-ef67-42d3-af76-e586d0d84731
Taxonomy Organic acids and derivatives > Organic sulfuric acids and derivatives
IUPAC Name [(4-oxocyclohexa-2,5-dien-1-ylidene)amino]sulfamic acid
SMILES (Canonical) C1=CC(=O)C=CC1=NNS(=O)(=O)O
SMILES (Isomeric) C1=CC(=O)C=CC1=NNS(=O)(=O)O
InChI InChI=1S/C6H6N2O4S/c9-6-3-1-5(2-4-6)7-8-13(10,11)12/h1-4,8H,(H,10,11,12)
InChI Key VVOGOUNTERYXBR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C6H6N2O4S
Molecular Weight 202.19 g/mol
Exact Mass 202.00482785 g/mol
Topological Polar Surface Area (TPSA) 104.00 Ų
XlogP -0.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [(4-oxocyclohexa-2,5-dien-1-ylidene)amino]sulfamic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.92% 95.56%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 81.95% 87.67%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.22% 93.03%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 5386519
LOTUS LTS0096731
wikiData Q105297760