2-(Benzoylamino)benzoic acid

Details

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Internal ID ba7da7dc-c814-47b2-93bb-fe2202cb82ed
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acids
IUPAC Name 2-benzamidobenzoic acid
SMILES (Canonical) C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O
SMILES (Isomeric) C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O
InChI InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
InChI Key WXVLIIDDWFGYCV-UHFFFAOYSA-N
Popularity 53 references in papers

Physical and Chemical Properties

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Molecular Formula C14H11NO3
Molecular Weight 241.24 g/mol
Exact Mass 241.07389321 g/mol
Topological Polar Surface Area (TPSA) 66.40 Ų
XlogP 3.50

Synonyms

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579-93-1
2-benzamidobenzoic acid
dianthramid B
N-Benzoylanthranilic acid
Benzoic acid, 2-(benzoylamino)-
2'-Carboxybenzanilide
2-Benzoylamino-benzoic acid
Benzoylanthranilic acid
Anthranilic acid, N-benzoyl-
N-(2-Carboxyphenyl)benzamide
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-(Benzoylamino)benzoic 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
CHEMBL1293294 P51151 Ras-related protein Rab-9A 99.67% 87.67%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 98.91% 81.11%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 93.54% 89.34%
CHEMBL221 P23219 Cyclooxygenase-1 91.14% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.02% 95.56%
CHEMBL2535 P11166 Glucose transporter 88.49% 98.75%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 88.14% 93.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.40% 99.23%
CHEMBL2096618 P11274 Bcr/Abl fusion protein 86.92% 85.83%
CHEMBL4901 P54753 Ephrin type-B receptor 3 84.70% 87.50%
CHEMBL5847 P52895 Aldo-keto reductase family 1 member C2 83.25% 92.50%
CHEMBL3714130 P46095 G-protein coupled receptor 6 83.22% 97.36%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 83.02% 94.62%
CHEMBL1255126 O15151 Protein Mdm4 80.97% 90.20%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Dianthus caryophyllus

Cross-Links

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PubChem 68482
LOTUS LTS0207051
wikiData Q27121845