CFam Chemical Families Database
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You are searching for "CFAMM00454695" in compound.

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CFAM Mol ID CFAMM00454695
Family CFFBM20146 5-hydroxytryptamine receptor 2A and Histamine H1 receptor ligand 3-[4-(2-chloro-10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid family
Superfamily CFSBM1081 Histamine H1 receptor and Alpha-1B adrenergic receptor Binder Superfamily 2
Class CFCCD424 Class 1237
External ID CHEMBL1222694 External Source CHEMBL
PubChem CID 49833884 Functional Category Bioactive
Molecule Name 2,2-dimethyl-3-[4-(2-methyl-10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]propanoic acid
IUPAC Name 2,2-dimethyl-3-[4-(2-methyl-10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]propanoic acid
Synonyms AGN-PC-088CTI;SureCN3723721;2,2-dimethyl-3-[4-(2-methyl-10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]propanoic acid
InChi InChI=1S/C22H28N4O2/c1-16-13-26-14-18-7-5-4-6-17(18)12-19(20(26)23-16)25-10-8-24(9-11-25)15-22(2,3)21(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28)
InChiKey JAWGTZDKZCZPKP-UHFFFAOYSA-N
Formula C22H28N4O2 Molecular Weight 380.48
Cross Link CHEMBL1222694
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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