CFAM Mol ID	CFAMM00293687
Family	CFFID3560 Adenosine receptor A1 Ligand 4-nitro-n-(4-phenyl-thiazol-2-yl)-benzamide Family
Superfamily	CFSID2453 Adenosine receptor A1 Ligand 4-nitro-n-(4-phenyl-thiazol-2-yl)-benzamide Superfamily
Class	CFCAD804 Class 804
External ID	CHEMBL253352	External Source	CHEMBL
PubChem CID	5274770	Functional Category	Bioactive
Molecule Name	AC1NRX9E
IUPAC Name	2-(cyclohexanecarbonylamino)-N-[4-(naphthalen-2-ylmethylamino)butyl]-1,3-benzothiazole-6-carboxamide
Synonyms	CHEBI:519450;2-(cyclohexanecarbonylamino)-N-[4-(naphthalen-2-ylmethylamino)butyl]-1,3-benzothiazole-6-carboxamide;6-Benzothiazolecarboxamide, 2-[(cyclohexylcarbonyl)amino]-N-[4-[(2-naphthalenylmethyl)amino]butyl]-
InChi	InChI=1S/C30H34N4O2S/c35-28(32-17-7-6-16-31-20-21-12-13-22-8-4-5-11-24(22)18-21)25-14-15-26-27(19-25)37-30(33-26)34-29(36)23-9-2-1-3-10-23/h4-5,8,11-15,18-19,23,31H,1-3,6-7,9-10,16-17,20H2,(H,32,35)(H,33,34,36)
InChiKey	VVMDSTLRGNILOC-UHFFFAOYSA-N
Formula	C30H34N4O2S	Molecular Weight	514.68
Cross Link	CHEMBL253352
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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