CFam Chemical Families Database
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You are searching for "CFAMM00445824" in compound.

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CFAM Mol ID CFAMM00445824
Family CFFBM18097 Melanocortin receptor 3 and Melanocyte-stimulating hormone receptor ligand (4R,7S,10S,13R,16S)-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-21-nitro-6,9,12,15,18-pentaoxo-2-thia-5,8,11,14,17-pentazabicyclo[17.4.0]tricosa-1(19),20,22-triene-4-carboxamide family
Superfamily CFSAD175 5-hydroxytryptamine receptor Ligand Ramosetron Superfamily
Class CFCAD170 Class 170
External ID CHEMBL505536 External Source CHEMBL
PubChem CID 44577519 Functional Category Bioactive
Molecule Name (4R,7R,10S,13R,16S)-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)-21-nitro-6,9,12,15,18-pentaoxo-2-thia-5,8,11,14,17-pentazabicyclo[17.4.0]tricosa-1(19),20,22-triene-4-carboxamide
IUPAC Name (4R,7R,10S,13R,16S)-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)-21-nitro-6,9,12,15,18-pentaoxo-2-thia-5,8,11,14,17-pentazabicyclo[17.4.0]tricosa-1(19),20,22-triene-4-carboxamide
Synonyms CHEBI:588199
InChi InChI=1S/C44H48N12O8S/c45-38(57)36-23-65-37-15-14-30(56(63)64)21-31(37)39(58)52-35(20-29-22-48-24-50-29)43(62)54-33(18-25-7-2-1-3-8-25)41(60)51-32(11-6-16-49-44(46)47)40(59)53-34(42(61)55-36)19-26-12-13-27-9-4-5-10-28(27)17-26/h1-5,7-10,12-15,17,21-22,24,32-36H,6,11,16,18-20,23H2,(H2,45,57)(H,48,50)(H,51,60)(H,52,58)(H,53,59)(H,54,62)(H,55,61)(H4,46,47,49)/t32-,33+,34+,35-,36-/m0/s1
InChiKey PRPVNAJQUHNHLC-PYHSBISQSA-N
Formula C44H48N12O8S Molecular Weight 904.99
Cross Link CHEMBL505536
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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National University of Singapore, Singapore


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