CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00103516" 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.

Search Results

CFAM Mol ID CFAMM00103516
Family CFFAD816 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Family
Superfamily CFSAD682 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Superfamily
Class CFCAD617 Class 617
External ID DNC003050 External Source TTD
PubChem CID 6323520 Functional Category Investigative Drug
Molecule Name 5,10-Methylene-6-Hydrofolic Acid
IUPAC Name (2R)-2-[[4-[(6aS)-3-amino-1-oxo-4,6a,7,9-tetrahydroimidazo[1,5-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid
Synonyms AC1O43SG;DB02301;(2R)-2-[[4-[(6aS)-3-amino-1-oxo-4,6a,7,9-tetrahydroimidazo[1,5-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid
InChi InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,7,12-13H,5-6,8-9H2,(H,23,30)(H,28,29)(H,32,33)(H3,21,24,25,31)/t12-,13-/m1/s1
InChiKey BHJAPJNOACHPNI-CHWSQXEVSA-N
Formula C20H21N7O6 Molecular Weight 455.42
Cross Link DB02301
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
 

 

27511 visits since 2014 .........

 



Dr. Chen Yuzong

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


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00103516'),None, txtsearch, CFAMM00103516|