Methyl 3-carbazolecarboxylate

Details

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Internal ID 5a364cab-9f0c-4372-9d4d-5b91efa9fed7
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name methyl 9H-carbazole-3-carboxylate
SMILES (Canonical) COC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32
SMILES (Isomeric) COC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32
InChI InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3
InChI Key LZXXHWWSVRIDGR-UHFFFAOYSA-N
Popularity 16 references in papers

Physical and Chemical Properties

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Molecular Formula C14H11NO2
Molecular Weight 225.24 g/mol
Exact Mass 225.078978594 g/mol
Topological Polar Surface Area (TPSA) 42.10 Ų
XlogP 3.60

Synonyms

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Methyl 9H-carbazole-3-carboxylate
97931-41-4
methyl carbazole-3-carboxylate
CHEMBL446253
9H-carbazole-3-carboxylic acid methyl ester
Carbazole-3-carboxylic acid, methyl ester (6CI); Methyl 9H-carbazole-3-carboxylate
3-methoxycarbonylcarbazole
Methyl3-carbazolecarboxylate
SCHEMBL71508
CHEBI:178582
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Methyl 3-carbazolecarboxylate

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.68% 91.11%
CHEMBL2535 P11166 Glucose transporter 94.33% 98.75%
CHEMBL4208 P20618 Proteasome component C5 89.57% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.09% 96.09%
CHEMBL2581 P07339 Cathepsin D 86.38% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.63% 93.99%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 84.36% 92.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.34% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 83.78% 90.20%
CHEMBL1951 P21397 Monoamine oxidase A 83.15% 91.49%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 82.22% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.43% 95.56%

Cross-Links

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PubChem 504069
NPASS NPC160381
ChEMBL CHEMBL446253
LOTUS LTS0207472
wikiData Q105160203