CFam Chemical Families Database
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You are searching for "CFAMM00017352" in compound.

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CFAM Mol ID CFAMM00017352
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 CHEMBL415144 External Source CHEMBL
PubChem CID 44388114 Functional Category Bioactive
Molecule Name CHEMBL415144
Synonyms CHEBI:397953
InChi InChI=1S/C84H107IN16O16S2/c1-47(2)89-42-54-30-28-53(29-31-54)38-70-81(114)100-72(49(4)104)82(115)94-65(37-52-23-13-8-14-24-52)78(111)99-71(48(3)103)83(116)96-67(44-102)79(112)97-68(73(88)106)45-118-119-46-69(98-74(107)60(87)39-55-32-33-57(105)41-59(55)85)80(113)91-62(27-17-18-34-86)75(108)92-63(35-50-19-9-6-10-20-50)76(109)93-64(36-51-21-11-7-12-22-51)77(110)95-66(84(117)101(70)5)40-56-43-90-61-26-16-15-25-58(56)61/h6-16,19-26,28-33,41,43,47-49,60,62-72,89-90,102-105H,17-18,27,34-40,42,44-46,86-87H2,1-5H3,(H2,88,106)(H,91,113)(H,92,108)(H,93,109)(H,94,115)(H,95,110)(H,96,116)(H,97,112)(H,98,107)(H,99,111)(H,100,114)/t48-,49-,60+,62-,63-,64+,65+,66+,67+,68+,69-,70+,71-,72-/m1/s1
Formula C84H107IN16O16S2 Molecular Weight 1787.88
Cross Link CHEMBL415144

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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