CFam Chemical Families Database
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You are searching for "CFAMM00317920" 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 CFAMM00317920
Family CFFBM955 Melatonin receptor type 1A and Melatonin receptor type 1B ligand AGN-PC-07YQIF family
Superfamily CFSBM544 Melatonin receptor type 1A and Melatonin receptor type 1B Binder Superfamily 2
Class CFCAD80 Class 80
External ID CHEMBL339383 External Source CHEMBL
PubChem CID 44355480 Functional Category Bioactive
Molecule Name 8-O-[4-[(2S,3R,4R)-2-(hydroxymethyl)-5-oxo-4-propan-2-ylpyrrolidin-3-yl]naphthalen-1-yl] 1-O-[4-[(2S,4R)-2-(hydroxymethyl)-5-oxo-4-propan-2-ylpyrrolidin-3-yl]naphthalen-1-yl] octanedioate
IUPAC Name 8-O-[4-[(2S,3R,4R)-2-(hydroxymethyl)-5-oxo-4-propan-2-ylpyrrolidin-3-yl]naphthalen-1-yl] 1-O-[4-[(2S,4R)-2-(hydroxymethyl)-5-oxo-4-propan-2-ylpyrrolidin-3-yl]naphthalen-1-yl] octanedioate
Synonyms CHEBI:322097
InChi InChI=1S/C44H52N2O8/c1-25(2)39-41(33(23-47)45-43(39)51)31-19-21-35(29-15-11-9-13-27(29)31)53-37(49)17-7-5-6-8-18-38(50)54-36-22-20-32(28-14-10-12-16-30(28)36)42-34(24-48)46-44(52)40(42)26(3)4/h9-16,19-22,25-26,33-34,39-42,47-48H,5-8,17-18,23-24H2,1-4H3,(H,45,51)(H,46,52)/t33-,34-,39-,40-,41-,42?/m1/s1
InChiKey XRTLJGYINIGJQB-NWTXVDQXSA-N
Formula C44H52N2O8 Molecular Weight 736.89
Cross Link CHEMBL339383
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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