CFam Chemical Families Database
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You are searching for "CFAMM00017338" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00017338
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 CHEMBL414749 External Source CHEMBL
PubChem CID 44311730 Functional Category Bioactive
Molecule Name CHEMBL414749
IUPAC Name
Synonyms CHEBI:214624
InChi InChI=1S/C84H106N16O18S2/c1-47(2)87-42-55-29-27-53(28-30-55)39-63-77(110)99-70(48(3)102)81(114)94-64(38-52-22-12-7-13-23-52)78(111)100-71(49(4)103)82(115)95-67(44-101)79(112)97-69(83(116)117)46-120-119-45-68(96-75(108)65(98-84(86)118)40-54-31-33-57(104)34-32-54)80(113)89-60(26-16-17-35-85)72(105)90-61(36-50-18-8-5-9-19-50)73(106)91-62(37-51-20-10-6-11-21-51)74(107)93-66(76(109)92-63)41-56-43-88-59-25-15-14-24-58(56)59/h5-15,18-25,27-34,43,47-49,60-71,87-88,101-104H,16-17,26,35-42,44-46,85H2,1-4H3,(H,89,113)(H,90,105)(H,91,106)(H,92,109)(H,93,107)(H,94,114)(H,95,115)(H,96,108)(H,97,112)(H,99,110)(H,100,111)(H,116,117)(H3,86,98,118)/t48-,49-,60-,61-,62+,63+,64+,65+,66-,67+,68-,69+,70-,71-/m1/s1
InChiKey QLVKKYGVIQGKCF-SEYGNWCUSA-N
Formula C84H106N16O18S2 Molecular Weight 1691.97
Cross Link CHEMBL414749
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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