CFam Chemical Families Database
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You are searching for "CFAMM00414822" in compound.

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CFAM Mol ID CFAMM00414822
Family CFFBM12279 Estrogen receptor ligand 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[[4-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]butanoylamino]methyl]benzoic acid family
Superfamily CFSCD440 5-hydroxytryptamine receptor 2A and D(2) dopamine receptor Ligand Risperidone Consta Superfamily
Class CFCAD544 Class 544
External ID CHEMBL492413 External Source CHEMBL
PubChem CID 25154757 Functional Category Bioactive
Molecule Name 2-[[(2R,3R,4R,5S,6S)-3,4,5-tribenzoyloxy-6-(1,4-dimethoxynaphthalen-2-yl)oxan-2-yl]methylcarbamoyl]benzoic acid
IUPAC Name 2-[[(2R,3R,4R,5S,6S)-3,4,5-tribenzoyloxy-6-(1,4-dimethoxynaphthalen-2-yl)oxan-2-yl]methylcarbamoyl]benzoic acid
Synonyms CHEBI:552412
InChi InChI=1S/C47H39NO12/c1-55-36-26-35(38(56-2)32-23-13-12-22-31(32)36)39-41(59-46(53)29-18-8-4-9-19-29)42(60-47(54)30-20-10-5-11-21-30)40(58-45(52)28-16-6-3-7-17-28)37(57-39)27-48-43(49)33-24-14-15-25-34(33)44(50)51/h3-26,37,39-42H,27H2,1-2H3,(H,48,49)(H,50,51)/t37-,39+,40-,41+,42+/m1/s1
InChiKey CQKAFRVMNZBKAN-IPCCRVIKSA-N
Formula C47H39NO12 Molecular Weight 809.81
Cross Link CHEMBL492413
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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