CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00078382" in compound.

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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 CFAMM00078382
Family CFFAD590 Estrogen receptor beta Ligand Conjugated Estrogens Family
Superfamily CFSAD504 Estrogen receptor beta Ligand Conjugated Estrogens Superfamily
Class CFCAD463 Class 463
External ID DNC008303 External Source TTD
PubChem CID 9842809 Functional Category Investigative Drug
Molecule Name 2-methoxyestrrone-3-O-sulfamate
IUPAC Name [(8R,9S,13S,14S)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
Synonyms SureCN307890;CHEMBL372231;2-methoxyestrrone-3-O-sulfamate;CHEBI:418984;DNC008303
InChi InChI=1S/C19H25NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(25-26(20,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,19-/m0/s1
InChiKey BTQHAWWINOTNQQ-QPWUGHHJSA-N
Formula C19H25NO5S Molecular Weight 379.47
Cross Link CHEMBL372231
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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