CFam Chemical Families Database
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You are searching for "CFAMM00143598" 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 CFAMM00143598
Family CFFCD215 P2Y purinoceptor 12 Inhibitor Ar-c69931 Mx Family
Superfamily CFSCD194 P2Y purinoceptor 12 Inhibitor Ar-c69931 Mx Superfamily
Class CFCAD172 Class 172
External ID CHEMBL604399 External Source CHEMBL
PubChem CID 46873942 Functional Category Bioactive
Molecule Name [[(2R,3S,4R)-5-(6-amino-8-ethylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
IUPAC Name [[(2R,3S,4R)-5-(6-amino-8-ethylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Synonyms
InChi InChI=1S/C22H33N10O22P5S/c1-2-60-22-30-11-17(24)26-6-28-19(11)32(22)21-15(36)13(34)9(50-21)4-48-56(39,40)52-58(43,44)54-59(45,46)53-57(41,42)51-55(37,38)47-3-8-12(33)14(35)20(49-8)31-7-29-10-16(23)25-5-27-18(10)31/h5-9,12-15,20-21,33-36H,2-4H2,1H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,23,25,27)(H2,24,26,28)/t8-,9-,12-,13-,14-,15-,20?,21?/m1/s1
InChiKey BVPIPAYXZVWFPE-MUMSYGBNSA-N
Formula C22H33N10O22P5S Molecular Weight 976.49
Cross Link CHEMBL604399
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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