CFam Chemical Families Database
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You are searching for "CFAMM00414820" in compound.

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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 CFAMM00414820
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 CHEMBL443616 External Source CHEMBL
PubChem CID 44580559 Functional Category Bioactive
Molecule Name 5-[[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]methyl-methylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
IUPAC Name 5-[[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]methyl-methylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Synonyms CHEBI:593699
InChi InChI=1S/C42H36ClNO11/c1-44(19-22-4-2-21(3-5-22)14-25-15-23(7-13-32(25)43)40-39(50)38(49)37(48)35(20-45)55-40)41(51)24-6-10-28(31(16-24)42(52)53)36-29-11-8-26(46)17-33(29)54-34-18-27(47)9-12-30(34)36/h2-13,15-18,35,37-40,45-46,48-50H,14,19-20H2,1H3,(H,52,53)/t35-,37-,38+,39-,40+/m1/s1
InChiKey TVDFDPBBFUNWCA-PIOUWGHTSA-N
Formula C42H36ClNO11 Molecular Weight 766.19
Cross Link CHEMBL443616
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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