CFam Chemical Families Database
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You are searching for "CFAMM00485726" 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 CFAMM00485726
Family CFFBM28476 Coagulation factor X and Cationic trypsin inhibitor 1qb6 family
Superfamily CFSBM10831 Cationic trypsin and Coagulation factor X Binder Superfamily 5
Class CFCCD263 Class 1076
External ID 54020413 External Source PubChem
PubChem CID 54020413 Functional Category Patent Compound
Molecule Name SureCN6578467
IUPAC Name methyl 3-[3-[2-[3-(diaminomethylideneamino)phenoxy]-6-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoropyridin-4-yl]oxyphenyl]prop-2-enoate
Synonyms AGN-PC-0438T9;methyl (E)-3-[3-[2-[3-(diaminomethylideneamino)phenoxy]-6-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoropyridin-4-yl]oxyphenyl]prop-2-enoate
InChi InChI=1S/C29H24F2N6O6/c1-40-22(39)11-8-15-4-2-6-18(12-15)41-25-23(30)27(42-19-7-3-5-17(14-19)36-29(34)35)37-28(24(25)31)43-21-13-16(26(32)33)9-10-20(21)38/h2-14H,32-33H2,1H3,(H4,34,35,36)
InChiKey HSAJYQMVTKKARX-UHFFFAOYSA-N
Formula C29H24F2N6O6 Molecular Weight 590.53
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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