CFam Chemical Families Database
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You are searching for "CFAMM00352652" in compound.

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CFAM Mol ID CFAMM00352652
Family CFFBM4052 Kappa-type opioid receptor and Mu-type opioid receptor ligand (3S)-3-amino-4-[3-[(1S)-1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]anilino]-4-oxobutanoic acid family
Superfamily CFSBM1162 Chymase and Mu-type opioid receptor Binder Superfamily
Class CFCBM448 Class 3498
External ID 22608383 External Source PubChem
PubChem CID 22608383 Functional Category Patent Compound
Molecule Name SureCN6778074
IUPAC Name 3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-3-(3,4-dichlorophenyl)propanoic acid
Synonyms AGN-PC-03R643;3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-3-(3,4-dichlorophenyl)propanoic acid
InChi InChI=1S/C19H19Cl2N5O4/c20-13-5-4-10(7-14(13)21)15(8-17(28)29)26-16(27)9-24-18(30)11-2-1-3-12(6-11)25-19(22)23/h1-7,15H,8-9H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25)
InChiKey WEKRBPIIPGCMEZ-UHFFFAOYSA-N
Formula C19H19Cl2N5O4 Molecular Weight 452.29
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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