CFam Chemical Families Database
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You are searching for "CFAMM00247146" in compound.

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CFAM Mol ID CFAMM00247146
Family CFFID1696 Gonadotropin-releasing hormone receptor Ligand Azaline B Family
Superfamily CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily
Class CFCCD167 Class 980
External ID CHEMBL414514 External Source CHEMBL
PubChem CID 44402640 Functional Category Bioactive
Molecule Name CHEMBL414514
IUPAC Name
Synonyms CHEBI:426305;DNC005691
InChi InChI=1S/C82H105ClN18O15/c1-46(2)37-62(72(106)93-61(16-9-10-34-87-47(3)4)80(114)101-36-12-17-69(101)79(113)89-48(5)70(84)104)94-74(108)65(40-52-23-30-59(31-24-52)92-81(85)115)96-76(110)66(41-51-21-28-58(29-22-51)91-71(105)60-32-35-88-82(116)100-60)98-78(112)68(45-102)99-77(111)67(43-54-13-11-33-86-44-54)97-75(109)64(39-50-19-26-57(83)27-20-50)95-73(107)63(90-49(6)103)42-53-18-25-55-14-7-8-15-56(55)38-53/h7-8,11,13-15,18-31,33,38,44,46-48,60-69,87,102H,9-10,12,16-17,32,34-37,39-43,45H2,1-6H3,(H2,84,104)(H,89,113)(H,90,103)(H,91,105)(H,93,106)(H,94,108)(H,95,107)(H,96,110)(H,97,109)(H,98,112)(H,99,111)(H3,85,92,115)(H2,88,100,116)/t48-,60?,61+,62+,63-,64-,65-,66+,67-,68+,69+/m1/s1
InChiKey NROXIBCRGGLLQS-MRTIRGLESA-N
Formula C82H105ClN18O15 Molecular Weight 1618.28
Cross Link CHEMBL414514
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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