CFam Chemical Families Database
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You are searching for "CFAMM00399966" 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 CFAMM00399966
Family CFFBM10159 Kappa-type opioid receptor and Cytochrome P450 2D6 ligand SureCN5342053 family
Superfamily CFSID442 5-hydroxytryptamine receptor 4 Ligand TD-5108 Superfamily
Class CFCID306 Class 1656
External ID ZINC04046843 External Source ZINC
PubChem CID 7001017 Functional Category Natural Product
Molecule Name AC1OCU1X
IUPAC Name [2-[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-2-oxoethyl]-(3-hydroxypropyl)azanium
Synonyms ZINC04046843;[2-[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-2-oxoethyl]-(3-hydroxypropyl)azanium
InChi InChI=1S/C18H27N3O2/c1-13-4-5-16-14(10-13)15-12-20(2)8-6-17(15)21(16)18(23)11-19-7-3-9-22/h4-5,10,15,17,19,22H,3,6-9,11-12H2,1-2H3/p+2/t15-,17-/m0/s1
InChiKey YVHMDUOTURLDTR-RDJZCZTQSA-P
Formula C18H29N3O2+2 Molecular Weight 319.44
Cross Link
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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