CFam Chemical Families Database
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You are searching for "CFAMM00252941" in compound.

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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 CFAMM00252941
Family CFFID1874 Calcitonin gene-related peptide type 1 receptor Ligand Fvptdvgafaf Family
Superfamily CFSID1298 Beta-secretase 1 and Caspase-4 Binder Superfamily
Class CFCAD608 Class 608
External ID CHEMBL100800 External Source CHEMBL
PubChem CID 10485092 Functional Category Bioactive
Molecule Name 3-[[(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanoyl]amino]-2-propan-2-ylhexanoyl]amino]propanoic acid
IUPAC Name 3-[[(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanoyl]amino]-2-propan-2-ylhexanoyl]amino]propanoic acid
Synonyms CHEBI:266352
InChi InChI=1S/C40H66N4O8/c1-5-6-17-33(42-35(25-30-15-11-8-12-16-30)40(50)44-22-19-31(20-23-44)52-27-51-4)39(49)43-34(24-29-13-9-7-10-14-29)36(45)26-32(28(2)3)38(48)41-21-18-37(46)47/h8,11-12,15-16,28-29,31-36,42,45H,5-7,9-10,13-14,17-27H2,1-4H3,(H,41,48)(H,43,49)(H,46,47)/t32-,33-,34-,35-,36-/m0/s1
InChiKey BJKCTKPZTBEUBV-XYPUQJIVSA-N
Formula C40H66N4O8 Molecular Weight 730.97
Cross Link CHEMBL100800
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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