CFam Chemical Families Database
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You are searching for "CFAMM00471024" in compound.

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CFAM Mol ID CFAMM00471024
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 CHEMBL1774492 External Source CHEMBL
PubChem CID 54586252 Functional Category Bioactive
Molecule Name 2-[11-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-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)piperazin-1-yl]propyl]-6H-benzo[c][1,5]benzoxazepin-2-yl]acetic acid
Synonyms CHEBI:1245540
InChi InChI=1S/C28H33N5O5/c1-29-25(18-26(34)30(2)28(29)37)32-14-12-31(13-15-32)10-5-11-33-22-7-4-3-6-21(22)19-38-24-9-8-20(16-23(24)33)17-27(35)36/h3-4,6-9,16,18H,5,10-15,17,19H2,1-2H3,(H,35,36)
InChiKey GUYGSIXDIXLGLA-UHFFFAOYSA-N
Formula C28H33N5O5 Molecular Weight 519.59
Cross Link CHEMBL1774492
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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