CFam Chemical Families Database
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You are searching for "CFAMM00172399" in compound.

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CFAM Mol ID CFAMM00172399
Family CFFCD820 Gonadotropin-releasing hormone Inhibitor ASP3550 Family
Superfamily CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily
Class CFCCD167 Class 980
External ID CHEMBL264781 External Source CHEMBL
PubChem CID 16156049 Functional Category Bioactive
Molecule Name CHEMBL264781
IUPAC Name
Synonyms CHEBI:448576
InChi InChI=1S/C85H109ClN18O17/c1-8-15-71(106)93-63(43-54-21-28-56-17-9-10-18-57(56)39-54)76(111)96-64(40-51-22-29-58(86)30-23-51)78(113)98-67(44-55-16-13-35-88-46-55)80(115)100-69(47-105)81(116)99-66(42-52-24-31-59(32-25-52)91-74(109)68-45-72(107)102-84(119)101-68)79(114)97-65(41-53-26-33-60(34-27-53)92-85(120)103-121-7)77(112)95-62(38-48(2)3)75(110)94-61(19-11-12-36-89-49(4)5)83(118)104-37-14-20-70(104)82(117)90-50(6)73(87)108/h9-10,13,16-18,21-35,39,46,48-50,61-70,89,105H,8,11-12,14-15,19-20,36-38,40-45,47H2,1-7H3,(H2,87,108)(H,90,117)(H,91,109)(H,93,106)(H,94,110)(H,95,112)(H,96,111)(H,97,114)(H,98,113)(H,99,116)(H,100,115)(H2,92,103,120)(H2,101,102,107,119)/t50-,61+,62+,63-,64-,65-,66+,67-,68+,69+,70+/m1/s1
InChiKey NBEMAYGXGAFXLU-BNPSKOLKSA-N
Formula C85H109ClN18O17 Molecular Weight 1690.34
Cross Link CHEMBL264781
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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