CFam Chemical Families Database
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You are searching for "CFAMM00452404" 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 CFAMM00452404
Family CFFBM19611 Adenosine receptor A1 and Adenosine receptor A2a ligand AGN-PC-005LXA family
Superfamily CFSBM357 Melanin-concentrating hormone receptor 1 and Adenosine receptor A1 Binder Superfamily
Class CFCCD350 Class 1163
External ID ZINC02095242 External Source ZINC
PubChem CID 51382862 Functional Category Natural Product
Molecule Name AGN-PC-0947B4
IUPAC Name methyl 2-amino-1-[2-(4-methoxycyclohexyl)ethyl]-5-oxo-1,2,3,4,4a,7,8,9,10,10a,11,11a-dodecahydrodipyrido[1,2-d:2',5'-e]pyrimidin-1-ium-3-carboxylate
Synonyms ZINC02095242;methyl 2-amino-1-[2-(4-methoxycyclohexyl)ethyl]-5-oxo-1,2,3,4,4a,7,8,9,10,10a,11,11a-dodecahydrodipyrido[1,2-d:2',5'-e]pyrimidin-1-ium-3-carboxylate
InChi InChI=1S/C22H38N4O4/c1-29-15-8-6-14(7-9-15)10-12-26-19(23)16(22(28)30-2)13-17-20(26)24-18-5-3-4-11-25(18)21(17)27/h14-20,24H,3-13,23H2,1-2H3/p+1
InChiKey QDEGWNSQYNBVES-UHFFFAOYSA-O
Formula C22H39N4O4+ Molecular Weight 423.57
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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