CFam Chemical Families Database
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You are searching for "CFAMM00254118" 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 CFAMM00254118
Family CFFID1912 Oestrogen receptor and Estrogen receptor beta Ligand Estrogen Platinum(ii) Hybrid Derivative Family
Superfamily CFSID902 Oestrogen receptor and Estrogen receptor beta Binder Superfamily
Class CFCID629 Class 1979
External ID DNC006177 External Source TTD
PubChem CID 44407419 Functional Category Investigative Drug
Molecule Name 16-(pyridin-3-yl)methyl-estradiol
IUPAC Name (13S,16R,17S)-13-methyl-16-(pyridin-3-ylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Synonyms DNC006177
InChi InChI=1S/C24H29NO2/c1-24-9-8-20-19-7-5-18(26)12-16(19)4-6-21(20)22(24)13-17(23(24)27)11-15-3-2-10-25-14-15/h2-3,5,7,10,12,14,17,20-23,26-27H,4,6,8-9,11,13H2,1H3/t17-,20?,21?,22?,23-,24-/m0/s1
InChiKey QLYAKILKANOLBC-ZCTINNFXSA-N
Formula C24H29NO2 Molecular Weight 363.49
Cross Link
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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