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

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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
Formula C42H36ClNO11 Molecular Weight 766.19
Cross Link CHEMBL443616

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).

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