CFam Chemical Families Database
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You are searching for "CFAMM00172460" in compound.

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CFAM Mol ID CFAMM00172460
Family CFFCD820 Gonadotropin-releasing hormone Inhibitor ASP3550 Family
Superfamily CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily
Class CFCCD167 Class 980
External ID CHEMBL510793 External Source CHEMBL
PubChem CID 44560873 Functional Category Bioactive
Molecule Name CHEMBL510793
IUPAC Name
Synonyms CHEBI:548553
InChi InChI=1S/C84H113ClN18O21S2/c1-52(104)75-83(120)98-69(81(118)94-64(76(87)113)43-55-13-18-56-8-2-3-9-57(56)40-55)51-126-125-50-68(82(119)95-66(42-54-16-21-60(22-17-54)91-84(88)121)79(116)96-67(44-58-45-90-62-11-5-4-10-61(58)62)80(117)93-63(77(114)99-75)12-6-7-24-86)97-78(115)65(41-53-14-19-59(85)20-15-53)92-70(105)23-34-122-36-38-124-39-37-123-35-25-89-71(106)46-100-26-28-101(47-72(107)108)30-32-103(49-74(111)112)33-31-102(29-27-100)48-73(109)110/h2-5,8-11,13-22,40,45,52,63-69,75,90,104H,6-7,12,23-39,41-44,46-51,86H2,1H3,(H2,87,113)(H,89,106)(H,92,105)(H,93,117)(H,94,118)(H,95,119)(H,96,116)(H,97,115)(H,98,120)(H,99,114)(H,107,108)(H,109,110)(H,111,112)(H3,88,91,121)/t52-,63+,64+,65-,66+,67-,68-,69+,75+/m1/s1
InChiKey KEQLKLNNERRVOU-YSDDOURYSA-N
Formula C84H113ClN18O21S2 Molecular Weight 1810.49
Cross Link CHEMBL510793
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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