CFam Chemical Families Database
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You are searching for "CFAMM00141849" in compound.

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CFAM Mol ID CFAMM00141849
Family CFFCD189 Adenosine receptor A2a Ligand Atl-146e Family
Superfamily CFSCD172 Adenosine receptor A2a Binder Superfamily
Class CFCAD172 Class 172
External ID DNC014683 External Source TTD
PubChem CID 46877398 Functional Category Investigative Drug
Molecule Name AdoCGlyArg6
IUPAC Name (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Synonyms AdoCGlyArg6;DNC014683
InChi InChI=1S/C48H86N30O12/c49-33-29-34(70-20-69-33)78(21-71-29)41-31(81)30(80)32(90-41)40(87)68-19-28(79)72-22(7-1-13-62-43(50)51)35(82)73-23(8-2-14-63-44(52)53)36(83)74-24(9-3-15-64-45(54)55)37(84)75-25(10-4-16-65-46(56)57)38(85)76-26(11-5-17-66-47(58)59)39(86)77-27(42(88)89)12-6-18-67-48(60)61/h20-27,30-32,41,80-81H,1-19H2,(H,68,87)(H,72,79)(H,73,82)(H,74,83)(H,75,84)(H,76,85)(H,77,86)(H,88,89)(H2,49,69,70)(H4,50,51,62)(H4,52,53,63)(H4,54,55,64)(H4,56,57,65)(H4,58,59,66)(H4,60,61,67)/t22-,23-,24-,25-,26-,27-,30+,31-,32+,41?/m1/s1
InChiKey RQOKDGUOYJQMIS-CUDNWQCBSA-N
Formula C48H86N30O12 Molecular Weight 1275.39
Cross Link CHEMBL611123
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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