CFam Chemical Families Database
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You are searching for "CFAMM00048840" in compound.

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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 CFAMM00048840
Family CFFAD309 Alpha adrenergic receptor Ligand Droperidol Family
Superfamily CFSAD265 Alpha adrenergic receptor Ligand Droperidol Superfamily
Class CFCAD252 Class 252
External ID CHEMBL1256709 External Source CHEMBL
PubChem CID 135348 Functional Category Bioactive
Molecule Name Ketanserin tartrate
IUPAC Name 2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
Synonyms KJK-945;R 49945;EINECS 281-062-8;83846-83-7;3-(2-(4-(p-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1H,3H)-quinazolinedione L-tartrate;3-[2-(4-Fluorobenzoyl)-1-piperdinyl]-ethyl]-2,4(1H,3H)-quinazolinedione tartrate;2,4(1H,3H)-Quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1);3-(2-(4-(4-Fluorobenzoyl)piperidino)ethyl)quinazoline-2,4(1H,3H)-dione (R-(R*,R*))-tartrate;3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}quinazoline-2,4(1h,3h)-dione 2,3-dihydroxysuccinate(1:1);84001-70-7
InChi InChI=1S/C22H22FN3O3.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)
InChiKey KMTLTEVOQLMYRS-UHFFFAOYSA-N
Formula C26H28FN3O9 Molecular Weight 545.51
Cross Link CHEMBL1256709
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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