CFam Chemical Families Database
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You are searching for "CFAMM00108208" in compound.

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CFAM Mol ID CFAMM00108208
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 CHEMBL524654 External Source CHEMBL
PubChem CID 44580135 Functional Category Bioactive
Molecule Name CHEMBL524654
IUPAC Name
Synonyms
InChi InChI=1S/C95H159N31O28S/c1-50(2)74(123-72(135)45-107-79(139)66(43-70(101)133)120-82(142)61(31-22-39-106-95(104)126(6)7)116-87(147)64(118-78(138)56(99)47-127)41-54-23-11-9-12-24-54)90(150)108-46-73(136)124-75(52(4)130)91(151)109-44-71(134)111-63(34-40-155-8)85(145)113-58(28-16-19-36-97)81(141)114-59(29-17-20-37-98)86(146)125-76(53(5)131)92(152)121-67(48-128)89(149)119-65(42-55-25-13-10-14-26-55)88(148)117-62(32-33-69(100)132)84(144)115-60(30-21-38-105-94(102)103)80(140)110-51(3)77(137)112-57(27-15-18-35-96)83(143)122-68(49-129)93(153)154/h9-14,23-26,50-53,56-68,74-76,127-131H,15-22,27-49,96-99H2,1-8H3,(H2,100,132)(H2,101,133)(H2,104,106)(H,107,139)(H,108,150)(H,109,151)(H,110,140)(H,111,134)(H,112,137)(H,113,145)(H,114,141)(H,115,144)(H,116,147)(H,117,148)(H,118,138)(H,119,149)(H,120,142)(H,121,152)(H,122,143)(H,123,135)(H,124,136)(H,125,146)(H,153,154)(H4,102,103,105)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-/m0/s1
InChiKey OJQXOVWOOKRXTC-XGYQTWCRSA-N
Formula C95H159N31O28S Molecular Weight 2215.53
Cross Link CHEMBL524654
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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