CFam Chemical Families Database
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You are searching for "CFAMM00317907" 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 CFAMM00317907
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 CHEMBL132525 External Source CHEMBL
PubChem CID 44355211 Functional Category Bioactive
Molecule Name 22-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] docosanedioate
IUPAC Name 22-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] docosanedioate
Synonyms CHEBI:321542
InChi InChI=1S/C58H80N2O8/c1-39(2)53-55(47(37-61)59-57(53)65)45-33-35-49(43-29-25-23-27-41(43)45)67-51(63)31-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-32-52(64)68-50-36-34-46(42-28-24-26-30-44(42)50)56-48(38-62)60-58(66)54(56)40(3)4/h23-30,33-36,39-40,47-48,53-56,61-62H,5-22,31-32,37-38H2,1-4H3,(H,59,65)(H,60,66)/t47-,48-,53-,54-,55-,56?/m1/s1
InChiKey LZSDOFCLPLQITN-HSIODSGISA-N
Formula C58H80N2O8 Molecular Weight 933.26
Cross Link CHEMBL132525
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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