CFam Chemical Families Database
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You are searching for "CFAMM00172448" in compound.

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CFAM Mol ID CFAMM00172448
Family CFFCD820 Gonadotropin-releasing hormone Inhibitor ASP3550 Family
Superfamily CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily
Class CFCCD167 Class 980
External ID CHEMBL415813 External Source CHEMBL
PubChem CID 44398117 Functional Category Bioactive
Molecule Name CHEMBL415813
Synonyms CHEBI:416437;DNC005349
InChi InChI=1S/C81H105ClN20O16/c1-44(2)36-59(71(109)94-58(14-9-10-31-85-45(3)4)78(116)102-35-11-15-66(102)77(115)89-46(5)68(83)106)95-74(112)62(39-50-21-28-56(29-22-50)92-79(84)117)97-75(113)63(40-49-19-26-55(27-20-49)91-70(108)64-42-67(105)101-81(118)100-64)98-76(114)65(43-103)99-69(107)57(30-32-86-80-87-33-34-88-80)93-73(111)61(38-48-17-24-54(82)25-18-48)96-72(110)60(90-47(6)104)41-51-16-23-52-12-7-8-13-53(52)37-51/h7-8,12-13,16-29,33-34,37,44-46,57-66,85,103H,9-11,14-15,30-32,35-36,38-43H2,1-6H3,(H2,83,106)(H,89,115)(H,90,104)(H,91,108)(H,93,111)(H,94,109)(H,95,112)(H,96,110)(H,97,113)(H,98,114)(H,99,107)(H3,84,92,117)(H2,86,87,88)(H2,100,101,105,118)/t46-,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+/m1/s1
Formula C81H105ClN20O16 Molecular Weight 1650.28
Cross Link CHEMBL415813

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).

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National University of Singapore, Singapore

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