CFam Chemical Families Database
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You are searching for "CFAMM00172330" in compound.

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CFAM Mol ID CFAMM00172330
Family CFFCD820 Gonadotropin-releasing hormone Inhibitor ASP3550 Family
Superfamily CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily
Class CFCCD167 Class 980
External ID DNC006651 External Source TTD
PubChem CID 16202050 Functional Category Investigative Drug
Molecule Name [4Aph(CO-NH-(C2H4O)2-C2H5)5]degarelix
Synonyms CHEBI:449007;DNC006651;[4Aph(CO-NH-(C2H4O)2-C2H5)5]degarelix
InChi InChI=1S/C84H112ClN17O16/c1-8-117-39-40-118-38-36-90-84(116)94-63-32-25-56(26-33-63)45-69(78(110)98-68(44-55-23-30-62(31-24-55)93-83(87)115)76(108)96-65(41-50(2)3)74(106)95-64(18-11-12-35-89-51(4)5)82(114)102-37-14-19-72(102)81(113)91-52(6)73(86)105)100-80(112)71(49-103)101-79(111)70(47-58-15-13-34-88-48-58)99-77(109)67(43-54-21-28-61(85)29-22-54)97-75(107)66(92-53(7)104)46-57-20-27-59-16-9-10-17-60(59)42-57/h9-10,13,15-17,20-34,42,48,50-52,64-72,89,103H,8,11-12,14,18-19,35-41,43-47,49H2,1-7H3,(H2,86,105)(H,91,113)(H,92,104)(H,95,106)(H,96,108)(H,97,107)(H,98,110)(H,99,109)(H,100,112)(H,101,111)(H3,87,93,115)(H2,90,94,116)/t52-,64+,65+,66-,67-,68-,69+,70-,71+,72+/m1/s1
Formula C84H112ClN17O16 Molecular Weight 1651.35
Cross Link CHEMBL219532

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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