CFam Chemical Families Database
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You are searching for "CFAMM00048761" in compound.

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CFAM Mol ID CFAMM00048761
Family CFFAD309 Alpha adrenergic receptor Ligand Droperidol Family
Superfamily CFSAD265 Alpha adrenergic receptor Ligand Droperidol Superfamily
Class CFCAD252 Class 252
External ID CHEMBL2114958 External Source CHEMBL
PubChem CID 71458114 Functional Category Bioactive
Molecule Name 1-(3-acetylphenyl)-3-[3-[(5R)-5-[(4-fluorophenyl)methyl]-3-azabicyclo[2.2.2]octan-3-yl]propyl]urea
IUPAC Name 1-(3-acetylphenyl)-3-[3-[(5R)-5-[(4-fluorophenyl)methyl]-3-azabicyclo[2.2.2]octan-3-yl]propyl]urea
Synonyms
InChi InChI=1S/C26H32FN3O2/c1-18(31)21-4-2-5-24(16-21)29-26(32)28-12-3-13-30-17-20-8-11-25(30)22(15-20)14-19-6-9-23(27)10-7-19/h2,4-7,9-10,16,20,22,25H,3,8,11-15,17H2,1H3,(H2,28,29,32)/t20?,22-,25?/m0/s1
InChiKey MKZSQKHBMZZFJJ-CVCZCXRASA-N
Formula C26H32FN3O2 Molecular Weight 437.55
Cross Link CHEMBL2114958
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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