CFam Chemical Families Database
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You are searching for "CFAMM00165987" 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 CFAMM00165987
Family CFFCD602 Thymosin Beta-4 family
Superfamily CFSAD715 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Superfamily
Class CFCAD645 Class 645
External ID CHEMBL385670 External Source CHEMBL
PubChem CID 44340998 Functional Category Bioactive
Molecule Name CHEMBL385670
IUPAC Name
Synonyms CHEBI:285288
InChi InChI=1S/C82H118N16O20/c1-6-52(4)72(80(116)98-46-24-31-63(98)76(112)94-61(81(117)118)47-51(2)3)95-77(113)64-32-23-44-96(64)78(114)57(38-39-70(105)106)92-73(109)58(48-54-25-9-7-10-26-54)93-74(110)59(50-71(107)108)90-69(104)37-17-20-42-87-68(103)36-16-19-41-86-67(102)35-15-18-40-85-66(101)34-14-13-33-65(100)56(29-21-43-88-82(83)84)91-75(111)62-30-22-45-97(62)79(115)60(89-53(5)99)49-55-27-11-8-12-28-55/h7-12,15-20,25-28,51-52,56-64,72H,6,13-14,21-24,29-50H2,1-5H3,(H,85,101)(H,86,102)(H,87,103)(H,89,99)(H,90,104)(H,91,111)(H,92,109)(H,93,110)(H,94,112)(H,95,113)(H,105,106)(H,107,108)(H,117,118)(H4,83,84,88)/b18-15+,19-16+,20-17+/t52-,56?,57-,58-,59-,60-,61-,62-,63-,64-,72-/m0/s1
InChiKey XVKDTKPRRFIVJI-OIDJGNKPSA-N
Formula C82H118N16O20 Molecular Weight 1647.91
Cross Link CHEMBL385670
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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