CFam Chemical Families Database
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You are searching for "CFAMM00553379" in compound.

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CFAM Mol ID CFAMM00553379
Family CFFNP695 Putative NP ZINC12858318 Family
Superfamily CFSID819 5-hydroxytryptamine receptor 2A Binder Superfamily
Class CFCAD38 Class 38
External ID ZINC20113732 External Source ZINC
PubChem CID 5578133 Functional Category Natural Product
Molecule Name AC1NVB6X
IUPAC Name (NZ)-N-[[3-ethoxy-4-[3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]prop-2-ynoxy]phenyl]methylidene]hydroxylamine
Synonyms ZINC20113732;(NZ)-N-[[3-ethoxy-4-[3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]prop-2-ynoxy]phenyl]methylidene]hydroxylamine
InChi InChI=1S/C24H26N2O6/c1-4-29-20-12-16(14-25-27)7-8-19(20)30-11-5-6-18-22-17(9-10-26(18)2)13-21-23(24(22)28-3)32-15-31-21/h7-8,12-14,18,27H,4,9-11,15H2,1-3H3/b25-14-/t18-/m1/s1
InChiKey IUMMRDLSWMGRRM-DBXOKZBGSA-N
Formula C24H26N2O6 Molecular Weight 438.47
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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