CFam Chemical Families Database
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You are searching for "CFAMM00411797" in compound.

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CFAM Mol ID CFAMM00411797
Family CFFBM11780 Beta-secretase 1 inhibitor 3-[5-[(4aR,7aR)-2-amino-3-methyl-4-oxo-6-pyridin-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile family
Superfamily CFSBM4867 Beta-secretase 1 and Neuropeptides B/W receptor type 1 Binder Superfamily
Class CFCBM234 Class 3284
External ID CHEMBL2178719 External Source CHEMBL
PubChem CID 71453702 Functional Category Bioactive
Molecule Name 3-[5-[(4aR,7aR)-2-amino-6-(5-chloropyrimidin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile
IUPAC Name 3-[5-[(4aR,7aR)-2-amino-6-(5-chloropyrimidin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile
Synonyms
InChi InChI=1S/C22H18ClN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1
InChiKey IBKRVASDDLTZLT-JTSKRJEESA-N
Formula C22H18ClN7OS Molecular Weight 463.94
Cross Link CHEMBL2178719
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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