CFam Chemical Families Database
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You are searching for "CFAMM00258725" 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 CFAMM00258725
Family CFFID2068 Delta-type opioid receptor and Mu-type opioid receptor Ligand H-dmt-tic-d-asp-n(me)-ph Family
Superfamily CFSID1543 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily 4
Class CFCID992 Class 2342
External ID CHEMBL1649941 External Source CHEMBL
PubChem CID 50994459 Functional Category Bioactive
Molecule Name (2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[2-[[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-(N-propanoylanilino)piperidin-1-yl]propan-2-yl]amino]-2-oxoethyl]hexanamide
IUPAC Name (2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[2-[[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-(N-propanoylanilino)piperidin-1-yl]propan-2-yl]amino]-2-oxoethyl]hexanamide
Synonyms CHEBI:1161284
InChi InChI=1S/C42H55ClN6O6/c1-5-7-13-36(47-40(53)35(44)25-34-27(3)22-33(50)23-28(34)4)41(54)45-26-38(51)46-37(24-29-14-16-30(43)17-15-29)42(55)48-20-18-32(19-21-48)49(39(52)6-2)31-11-9-8-10-12-31/h8-12,14-17,22-23,32,35-37,50H,5-7,13,18-21,24-26,44H2,1-4H3,(H,45,54)(H,46,51)(H,47,53)/t35-,36+,37-/m0/s1
InChiKey QOTSIQBGDAQKCQ-QOEXFKEZSA-N
Formula C42H55ClN6O6 Molecular Weight 775.38
Cross Link CHEMBL1649941
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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