CFam Chemical Families Database
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You are searching for "CFAMM00396506" in compound.

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CFAM Mol ID CFAMM00396506
Family CFFBM9557 Melanin-concentrating hormone receptor 1 ligand N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(2-propan-2-yloxyethylamino)pyridine-3-carboxamide family
Superfamily CFSBM4766 Melanin-concentrating hormone receptor 1 and Aurora kinase A Binder Superfamily
Class CFCCD161 Class 974
External ID ZINC02102093 External Source ZINC
PubChem CID 51382899 Functional Category Natural Product
Molecule Name AGN-PC-0947C1
IUPAC Name N-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-ylmethyl)-2-amino-5-oxo-1-(3-propan-2-yloxypropyl)-1,2,3,4,4a,7,8,9,10,10a,11,11a-dodecahydrodipyrido[1,2-d:2',5'-e]pyrimidin-1-ium-3-carboxamide
Synonyms ZINC02102093;N-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-ylmethyl)-2-amino-5-oxo-1-(3-propan-2-yloxypropyl)-1,2,3,4,4a,7,8,9,10,10a,11,11a-dodecahydrodipyrido[1,2-d:2',5'-e]pyrimidin-1-ium-3-carboxamide
InChi InChI=1S/C26H45N5O5/c1-16(2)34-11-5-10-31-23(27)18(13-19-24(31)29-22-6-3-4-9-30(22)26(19)33)25(32)28-14-17-7-8-20-21(12-17)36-15-35-20/h16-24,29H,3-15,27H2,1-2H3,(H,28,32)/p+1
InChiKey RITYXEHJCPWLBF-UHFFFAOYSA-O
Formula C26H46N5O5+ Molecular Weight 508.67
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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