CFam Chemical Families Database
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You are searching for "CFAMM00161301" in compound.

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CFAM Mol ID CFAMM00161301
Family CFFCD507 Tumor necrosis factor Inhibitor Talactoferrin Alfa Family
Superfamily CFSCD464 Tumor necrosis factor Inhibitor Talactoferrin Alfa Superfamily
Class CFCCD148 Class 961
External ID CHEMBL38521 External Source CHEMBL
PubChem CID 127914 Functional Category Bioactive
Molecule Name DIPPA
IUPAC Name 2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
Synonyms (S)-3,4-Dichloro-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)-N-methylbenzeneacetamide;2-(3,4-Dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide;Benzeneacetamide, 3,4-dichloro-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)-N-methyl-, (S)-;155512-49-5;Tocris-0794;AC1L2SUZ;CHEBI:156700;NCGC00024795-01;KB-279891
InChi InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
InChiKey BNAKCEFXXMHXDQ-OAQYLSRUSA-N
Formula C22H23Cl2N3OS Molecular Weight 448.41
Cross Link CHEMBL38521
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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