CFam Chemical Families Database
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You are searching for "CFAMM00388139" in compound.

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CFAM Mol ID CFAMM00388139
Family CFFBM8457 B1 bradykinin receptor ligand SureCN1712821 family
Superfamily CFSBM1784 Carbonic anhydrase 2 and Carbonic anhydrase 7 Binder Superfamily
Class CFCBM689 Class 3739
External ID CHEMBL183048 External Source CHEMBL
PubChem CID 11320189 Functional Category Bioactive
Molecule Name SureCN1712821
IUPAC Name N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide
Synonyms AGN-PC-006Q02;CHEBI:405721;N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide
InChi InChI=1S/C41H58N6O5S/c1-43(2)21-11-23-45(24-12-22-44(3)4)40(48)35-19-25-47(26-20-35)53(50,51)36-17-18-39(37(31-36)41(49)46-27-29-52-30-28-46)42-32-38(33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-10,13-18,31,35,38,42H,11-12,19-30,32H2,1-4H3
InChiKey GGVNIEZAWIDXDA-UHFFFAOYSA-N
Formula C41H58N6O5S Molecular Weight 747.00
Cross Link CHEMBL183048
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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