CFam Chemical Families Database
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You are searching for "CFAMM00381595" in compound.

Total 1 results found.

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 CFAMM00381595
Family CFFBM7606 Kappa-type opioid receptor and Mu-type opioid receptor ligand CHEMBL1729698 family
Superfamily CFSID105 Carbonic anhydrase 2 and Carbonic anhydrase 1 Binder Superfamily
Class CFCCD92 Class 905
External ID CHEMBL494749 External Source CHEMBL
PubChem CID 11455956 Functional Category Bioactive
Molecule Name 3-methylsulfonyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
IUPAC Name 3-methylsulfonyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
Synonyms SureCN4099994;AGN-PC-009GW4;3-methylsulfonyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
InChi InChI=1S/C26H29N3O3S/c1-33(31,32)25-10-4-9-24(17-25)26(30)28-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-29-13-11-27-12-14-29/h2-10,15-17,27H,11-14,18-19H2,1H3,(H,28,30)
InChiKey ZNEZHJZADNKLJX-UHFFFAOYSA-N
Formula C26H29N3O3S Molecular Weight 463.59
Cross Link CHEMBL494749
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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