CFAM Mol ID	CFAMM00440026
Family	CFFBM16966 Alpha-2C adrenergic receptor and Alpha-2A adrenergic receptor ligand [(3R,3aS)-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl] pyridine-4-carboxylate family
Superfamily	CFSID76 Reverse transcriptase and Hemoglobin subunit alpha Binder Superfamily
Class	CFCCD189 Class 1002
External ID	ZINC20759392	External Source	ZINC
PubChem CID	16407998	Functional Category	Natural Product
Molecule Name	4,8-dimethyl-7-((2-methylallyl)oxy)-3-(2-oxo-2-(4-(2-(pyridin-4-yl)ethyl)piperazin-1-yl)ethyl)-2H-chromen-2-one
IUPAC Name	4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]chromen-2-one
Synonyms	STOCK1N-68932;MolPort-000-855-884;ZINC20759392;MCULE-7957436319;4,8-dimethyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]chromen-2-one
InChi	InChI=1S/C28H33N3O4/c1-19(2)18-34-25-6-5-23-20(3)24(28(33)35-27(23)21(25)4)17-26(32)31-15-13-30(14-16-31)12-9-22-7-10-29-11-8-22/h5-8,10-11H,1,9,12-18H2,2-4H3
InChiKey	YODNJTAVOVLRGX-UHFFFAOYSA-N
Formula	C28H33N3O4	Molecular Weight	475.58
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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