CFam Chemical Families Database
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You are searching for "CFAMM00254556" in compound.

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CFAM Mol ID CFAMM00254556
Family CFFID1930 Melanocortin receptor Ligand Ac-his-dnal(2)-arg-trp-nh2 Family
Superfamily CFSCD507 NS5A protein Inhibitor Bms 790052 Superfamily
Class CFCCD357 Class 1170
External ID CHEMBL504986 External Source CHEMBL
PubChem CID 44577510 Functional Category Bioactive
Molecule Name (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
IUPAC Name (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
Synonyms CHEBI:588185
InChi InChI=1S/C42H47N13O8S/c43-36(56)34-21-64-35-13-12-26(55(62)63)18-28(35)37(57)51-33(17-25-20-46-22-49-25)41(61)52-31(15-23-7-2-1-3-8-23)39(59)50-30(11-6-14-47-42(44)45)38(58)53-32(40(60)54-34)16-24-19-48-29-10-5-4-9-27(24)29/h1-5,7-10,12-13,18-20,22,30-34,48H,6,11,14-17,21H2,(H2,43,56)(H,46,49)(H,50,59)(H,51,57)(H,52,61)(H,53,58)(H,54,60)(H4,44,45,47)/t30-,31+,32-,33-,34-/m0/s1
InChiKey ROTHBSFMHAHRTG-VLGXOXMCSA-N
Formula C42H47N13O8S Molecular Weight 893.97
Cross Link CHEMBL504986
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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