CFam Chemical Families Database
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You are searching for "CFAMM00017394" in compound.

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CFAM Mol ID CFAMM00017394
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 CHEMBL376728 External Source CHEMBL
PubChem CID 16155358 Functional Category Bioactive
Molecule Name CHEMBL376728
IUPAC Name
Synonyms CHEBI:448955
InChi InChI=1S/C88H116ClN19O19/c1-8-126-39-40-127-38-36-93-86(122)104-70(46-57-20-27-59-16-9-10-17-60(59)42-57)82(118)100-66(43-54-21-28-61(89)29-22-54)79(115)101-69(47-58-15-13-34-91-49-58)81(117)103-72(50-109)83(119)102-68(45-55-23-30-62(31-24-55)95-76(112)71-48-74(110)106-87(123)105-71)80(116)99-67(44-56-25-32-63(33-26-56)96-88(124)107-125-7)78(114)98-65(41-51(2)3)77(113)97-64(18-11-12-35-92-52(4)5)85(121)108-37-14-19-73(108)84(120)94-53(6)75(90)111/h9-10,13,15-17,20-34,42,49,51-53,64-73,92,109H,8,11-12,14,18-19,35-41,43-48,50H2,1-7H3,(H2,90,111)(H,94,120)(H,95,112)(H,97,113)(H,98,114)(H,99,116)(H,100,118)(H,101,115)(H,102,119)(H,103,117)(H2,93,104,122)(H2,96,107,124)(H2,105,106,110,123)/t53-,64+,65+,66-,67-,68+,69-,70-,71+,72+,73+/m1/s1
InChiKey RFHXQLSFVJDYMA-FUIBGKRTSA-N
Formula C88H116ClN19O19 Molecular Weight 1779.43
Cross Link CHEMBL376728
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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