CFam Chemical Families Database
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You are searching for "CFAMM00108163" in compound.

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CFAM Mol ID CFAMM00108163
Family CFFAD853 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Family
Superfamily CFSAD715 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Superfamily
Class CFCAD645 Class 645
External ID CHEMBL2372228 External Source CHEMBL
PubChem CID 73347158 Functional Category Bioactive
Molecule Name 2-[(6S,12R,15R,20R,23S,26S,28R)-15-amino-20-carbamoyl-6-[(3-chlorophenyl)methyl]-28-hydroxy-23-[(1R)-1-hydroxyethyl]-2,5,8,11,14,22,25-heptaoxo-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-12-yl]acetic acid
IUPAC Name 2-[(6S,12R,15R,20R,23S,26S,28R)-15-amino-20-carbamoyl-6-[(3-chlorophenyl)methyl]-28-hydroxy-23-[(1R)-1-hydroxyethyl]-2,5,8,11,14,22,25-heptaoxo-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-12-yl]acetic acid
Synonyms
InChi InChI=1S/C32H44ClN9O12S2/c1-14(43)26-32(54)40-21(27(35)49)13-56-55-12-18(34)28(50)39-20(8-25(47)48)30(52)36-9-23(45)38-19(6-15-3-2-4-16(33)5-15)29(51)37-10-24(46)42-11-17(44)7-22(42)31(53)41-26/h2-5,14,17-22,26,43-44H,6-13,34H2,1H3,(H2,35,49)(H,36,52)(H,37,51)(H,38,45)(H,39,50)(H,40,54)(H,41,53)(H,47,48)/t14-,17-,18+,19+,20-,21+,22+,26+/m1/s1
InChiKey IRMVDKNLFHPSQA-TUEVVBJVSA-N
Formula C32H44ClN9O12S2 Molecular Weight 846.33
Cross Link CHEMBL2372228
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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