CFam Chemical Families Database
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You are searching for "CFAMM00170946" 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 CFAMM00170946
Family CFFCD754 Amonafide family
Superfamily CFSCD664 Amonafide Superfamily
Class CFCCD470 Class 1283
External ID 21428621 External Source PubChem
PubChem CID 21428621 Functional Category Patent Compound
Molecule Name AGN-PC-03BGED
IUPAC Name 7-amino-2-[3-[3-(7-amino-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)propyl-methylamino]propyl]-4,4-dimethylisoquinoline-1,3-dione
Synonyms SureCN11729888;7-amino-2-[3-[3-(7-amino-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)propyl-methylamino]propyl]-4,4-dimethylisoquinoline-1,3-dione
InChi InChI=1S/C29H37N5O4/c1-28(2)22-10-8-18(30)16-20(22)24(35)33(26(28)37)14-6-12-32(5)13-7-15-34-25(36)21-17-19(31)9-11-23(21)29(3,4)27(34)38/h8-11,16-17H,6-7,12-15,30-31H2,1-5H3
InChiKey LUZNMAISGUJZFY-UHFFFAOYSA-N
Formula C29H37N5O4 Molecular Weight 519.64
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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