CFam Chemical Families Database
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You are searching for "CFAMM00170471" 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 CFAMM00170471
Family CFFCD737 Acolbifene family
Superfamily CFSCD651 Acolbifene Superfamily
Class CFCCD460 Class 1273
External ID DNCL002602 External Source TTD
PubChem CID 155435 Functional Category Clinical Trial Drug
Molecule Name Acolbifene
IUPAC Name (2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
Synonyms AC1L4EAA;252555-01-4;SureCN406183;CHEMBL68055;UNII-815LJ9X0D1;CTK4F5320;CHEBI:203971;EM 652;EM-652;SCH 57068
InChi InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1
InChiKey DUYNJNWVGIWJRI-LJAQVGFWSA-N
Formula C29H31NO4 Molecular Weight 457.56
Cross Link CHEMBL68055
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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