CFam Chemical Families Database
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You are searching for "CFAMM00314248" 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 CFAMM00314248
Family CFFBM680 Cathepsin K and Cathepsin S inhibitor dipeptidyl nitrile, 16f family
Superfamily CFSBM403 Histamine H3 receptor and D(3) dopamine receptor Binder Superfamily
Class CFCID1083 Class 2433
External ID ZINC02116966 External Source ZINC
PubChem CID 1771594 Functional Category Natural Product
Molecule Name methyl 4-((12aS)-2-(2-methoxyethyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl)benzoate
IUPAC Name
Synonyms ZINC02116966
InChi InChI=1S/C25H25N3O5/c1-32-12-11-27-14-21(29)28-20(24(27)30)13-18-17-5-3-4-6-19(17)26-22(18)23(28)15-7-9-16(10-8-15)25(31)33-2/h3-10,20,23,26H,11-14H2,1-2H3/t20-,23+/m0/s1
InChiKey XZZMYTZNLVZKHB-NZQKXSOJSA-N
Formula C25H25N3O5 Molecular Weight 447.48
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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