CFam Chemical Families Database
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You are searching for "CFAMM00443854" in compound.

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CFAM Mol ID CFAMM00443854
Family CFFBM17668 Acetylcholinesterase and Cholinesterase inhibitor [3-hydroxy-5-[3-[3-hydroxy-5-(trimethylazaniumyl)phenoxy]propoxy]phenyl]-trimethylazanium;diiodide family
Superfamily CFSBM2454 Cholinesterase and Cytochrome P450 2C9 Binder Superfamily
Class CFCAD287 Class 287
External ID 19842963 External Source PubChem
PubChem CID 19842963 Functional Category Patent Compound
Molecule Name AGN-PC-02KVAW
IUPAC Name 4-N,4-N-bis[3,5-di(propan-2-yloxy)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
Synonyms SureCN9165801;4-N,4-N-bis[3,5-di(propan-2-yloxy)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
InChi InChI=1S/C42H48N2O4/c1-29(2)45-39-23-37(24-40(27-39)46-30(3)4)44(38-25-41(47-31(5)6)28-42(26-38)48-32(7)8)36-21-19-35(20-22-36)43(33-15-11-9-12-16-33)34-17-13-10-14-18-34/h9-32H,1-8H3
InChiKey LDQBIPUOJYGTFS-UHFFFAOYSA-N
Formula C42H48N2O4 Molecular Weight 644.84
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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