CFam Chemical Families Database
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You are searching for "CFAMM00142163" in compound.

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CFAM Mol ID CFAMM00142163
Family CFFCD196 Endothelin-1 receptor Ligand Atrasentan Family
Superfamily CFSCD179 Endothelin-1 receptor Ligand Atrasentan Superfamily
Class CFCCD141 Class 954
External ID ZINC15958932 External Source ZINC
PubChem CID 2161971 Functional Category Natural Product
Molecule Name AC1M24LU
IUPAC Name (1S,3S,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-1-[(3,4-dihydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Synonyms ZINC15958932;(1S,3S,3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-1-[(3,4-dihydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
InChi InChI=1S/C28H23N3O7/c32-19-7-5-14(10-20(19)33)9-18-23-24(28(30-18)16-3-1-2-4-17(16)29-27(28)36)26(35)31(25(23)34)12-15-6-8-21-22(11-15)38-13-37-21/h1-8,10-11,18,23-24,30,32-33H,9,12-13H2,(H,29,36)/t18-,23+,24-,28+/m0/s1
InChiKey ZQPXWJIOSBNZKO-VLRVBGRWSA-N
Formula C28H23N3O7 Molecular Weight 513.50
Cross Link
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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