CFam Chemical Families Database
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You are searching for "CFAMM00172854" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00172854
Family CFFCD835 Cinitapride family
Superfamily CFSCD737 Cinitapride Superfamily
Class CFCCD524 Class 1337
External ID 12796105 External Source PubChem
PubChem CID 12796105 Functional Category Patent Compound
Molecule Name SureCN9866922
IUPAC Name 4-amino-N-[1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-yl]-5-nitro-2-prop-2-enoxybenzamide
Synonyms
InChi InChI=1S/C22H28N4O4/c1-2-12-30-21-14-19(23)20(26(28)29)13-18(21)22(27)24-17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h2-4,7,13-14,17H,1,5-6,8-12,15,23H2,(H,24,27)
InChiKey RSPLZPFPBDFYHO-UHFFFAOYSA-N
Formula C22H28N4O4 Molecular Weight 412.48
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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