CFam Chemical Families Database
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You are searching for "CFAMM00296621" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00296621
Family CFFID3722 Delta-type opioid receptor and Kappa-type opioid receptor Ligand Dmt-pro-emp-phe-nh2 Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL379054 External Source CHEMBL
PubChem CID 44415914 Functional Category Bioactive
Molecule Name (2S)-2-acetamido-N-[(2R)-1-[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-oxopiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide
IUPAC Name (2S)-2-acetamido-N-[(2R)-1-[(2S)-2-[3-(diaminomethylideneamino)propyl]-4-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-oxopiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Synonyms CHEBI:457804
InChi InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1
InChiKey KYOVLZCJSUXUJI-NBRFXYHLSA-N
Formula C42H50N8O6 Molecular Weight 762.90
Cross Link CHEMBL379054
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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