CFam Chemical Families Database
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You are searching for "CFAMM00222105" 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 CFAMM00222105
Family CFFID908 Trifunctional purine biosynthetic protein adenosine-3 Inhibitor 10-formyl-5,8,10-trideazafolic Acid Family
Superfamily CFSAD682 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Superfamily
Class CFCAD617 Class 617
External ID CHEMBL473422 External Source CHEMBL
PubChem CID 44571526 Functional Category Bioactive
Molecule Name SureCN5420725
IUPAC Name (2S)-2-[(1S)-3-oxocyclohexyl]-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
Synonyms CHEBI:575150
InChi InChI=1S/C29H31N3O5/c1-16-11-17(2)25(18(3)12-16)32-29(37)30-24-15-20-8-5-4-7-19(20)14-23(24)27(34)31-26(28(35)36)21-9-6-10-22(33)13-21/h4-5,7-8,11-12,14-15,21,26H,6,9-10,13H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)/t21-,26-/m0/s1
InChiKey MOUYIWPAGWNTNV-LVXARBLLSA-N
Formula C29H31N3O5 Molecular Weight 501.57
Cross Link CHEMBL473422
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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