CFAM Mol ID	CFAMM00471025
Family	CFFBM24684 Histamine H1 receptor ligand 11-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]-6H-benzo[c][1,5]benzoxazepine-2-carboxylic acid family
Superfamily	CFSAD320 Sodium channel protein type 5 subunit alpha Ligand Proparacaine Superfamily
Class	CFCAD300 Class 300
External ID	CHEMBL1774493	External Source	CHEMBL
PubChem CID	54582401	Functional Category	Bioactive
Molecule Name	2-[11-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]-6H-benzo[c][1,5]benzoxazepin-2-yl]acetic acid
IUPAC Name	2-[11-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,4-diazepan-1-yl]propyl]-6H-benzo[c][1,5]benzoxazepin-2-yl]acetic acid
Synonyms	CHEBI:1245541
InChi	InChI=1S/C29H35N5O5/c1-30-26(19-27(35)31(2)29(30)38)33-13-5-11-32(15-16-33)12-6-14-34-23-8-4-3-7-22(23)20-39-25-10-9-21(17-24(25)34)18-28(36)37/h3-4,7-10,17,19H,5-6,11-16,18,20H2,1-2H3,(H,36,37)
InChiKey	SNSVDJAVYWDAAX-UHFFFAOYSA-N
Formula	C29H35N5O5	Molecular Weight	533.62
Cross Link	CHEMBL1774493
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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