CFam Chemical Families Database
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You are searching for "CFAMM00153391" 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 CFAMM00153391
Family CFFCD368 D(2) dopamine receptor Ligand Aplindore Fumarate Family
Superfamily CFSCD336 D(2) dopamine receptor Ligand Aplindore Fumarate Superfamily
Class CFCCD245 Class 1058
External ID CHEMBL1087455 External Source CHEMBL
PubChem CID 46888928 Functional Category Bioactive
Molecule Name (3R)-3-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
IUPAC Name (3R)-3-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
Synonyms CHEBI:729009
InChi InChI=1S/C26H29N3O4/c30-24-6-3-18-2-1-17(12-22(18)28-24)11-16-7-9-29(10-8-16)14-19-15-32-26-20-13-25(31)27-21(20)4-5-23(26)33-19/h1-2,4-5,12,16,19H,3,6-11,13-15H2,(H,27,31)(H,28,30)/t19-/m1/s1
InChiKey VJQGVOVLQSAUIL-LJQANCHMSA-N
Formula C26H29N3O4 Molecular Weight 447.53
Cross Link CHEMBL1087455
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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