CFam Chemical Families Database
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You are searching for "CFAMM00017307" in compound.

Total 1 results found.

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 CFAMM00017307
Family CFFAD87 Gonadotropin-releasing hormone receptor Ligand decapeptide analog Cetrorelix Family
Superfamily CFSAD85 Gonadotropin-releasing hormone receptor Ligand Cetrorelix Superfamily
Class CFCAD85 Class 85
External ID CHEMBL409138 External Source CHEMBL
PubChem CID 44402518 Functional Category Bioactive
Molecule Name CHEMBL409138
IUPAC Name
Synonyms CHEBI:426137;DNC005684
InChi InChI=1S/C82H105ClN18O17/c1-45(2)35-61(71(106)93-60(16-9-10-33-88-46(3)4)79(114)101-34-12-17-68(101)78(113)89-47(5)80(115)116)94-73(108)64(38-50-21-28-57(29-22-50)91-81(86)117)96-75(110)65(39-51-23-30-58(31-24-51)92-82(118)100-70(105)59(84)42-69(85)104)98-77(112)67(44-102)99-76(111)66(41-53-13-11-32-87-43-53)97-74(109)63(37-49-19-26-56(83)27-20-49)95-72(107)62(90-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,88,102H,9-10,12,16-17,33-35,37-42,44,84H2,1-6H3,(H2,85,104)(H,89,113)(H,90,103)(H,93,106)(H,94,108)(H,95,107)(H,96,110)(H,97,109)(H,98,112)(H,99,111)(H,115,116)(H3,86,91,117)(H2,92,100,105,118)/t47-,59-,60+,61+,62-,63-,64-,65+,66-,67+,68+/m1/s1
InChiKey HSAQKBXERSXXGU-WKZMYAFHSA-N
Formula C82H105ClN18O17 Molecular Weight 1650.27
Cross Link CHEMBL409138
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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