CFam Chemical Families Database
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You are searching for "CFAMM00295535" 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 CFAMM00295535
Family CFFID3655 Delta-type opioid receptor and Mu-type opioid receptor Ligand Tyr-pro-phe-phe-och2ch3 Family
Superfamily CFSCD51 Neurotensin receptor type 1 and Ceramide glucosyltransferase Binder Superfamily
Class CFCCD45 Class 858
External ID CHEMBL219414 External Source CHEMBL
PubChem CID 44415076 Functional Category Bioactive
Molecule Name 4-[(2S)-3-[[(2S)-1-amino-3-phenylpropan-2-yl]amino]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(ethylamino)-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-phenylpropyl]pyrrolidin-2-yl]methylamino]propyl]phenol
IUPAC Name 4-[(2S)-3-[[(2S)-1-amino-3-phenylpropan-2-yl]amino]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(ethylamino)-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-phenylpropyl]pyrrolidin-2-yl]methylamino]propyl]phenol
Synonyms CHEBI:456131
InChi InChI=1S/C52H71N7O3/c1-2-54-45(29-41-15-21-50(60)22-16-41)34-56-46(30-42-17-23-51(61)24-18-42)36-57-48(32-40-12-7-4-8-13-40)38-59-27-9-14-49(59)37-58-47(31-43-19-25-52(62)26-20-43)35-55-44(33-53)28-39-10-5-3-6-11-39/h3-8,10-13,15-26,44-49,54-58,60-62H,2,9,14,27-38,53H2,1H3/t44-,45-,46-,47-,48-,49-/m0/s1
InChiKey SCZFWQFFHHZRAN-RRXWZPBSSA-N
Formula C52H71N7O3 Molecular Weight 842.17
Cross Link CHEMBL219414
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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