CFam Chemical Families Database
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You are searching for "CFAMM00042558" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00042558
Family CFFAD240 Sodium channel protein type 10 subunit alpha Ligand Tetracaine Family
Superfamily CFSAD108 Sodium channel lignad Chloroprocaine Tetracaine Superfamily
Class CFCAD108 Class 108
External ID 280454 External Source PubChem
PubChem CID 280454 Functional Category Patent Compound
Molecule Name Methyl 4-isocyanatobenzoate
IUPAC Name methyl 4-isocyanatobenzoate
Synonyms 23138-53-6;Benzoic acid, 4-isocyanato-, methyl ester;NSC132096;ACMC-20akgb;AC1L5SCI;AC1Q6BL0;511935_ALDRICH;AC1Q437O;CTK4F0942;MolPort-001-794-252
InChi InChI=1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
InChiKey FQDDBYGPHUUTRN-UHFFFAOYSA-N
Formula C9H7NO3 Molecular Weight 177.16
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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