CFam Chemical Families Database
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You are searching for "CFAMM00431166" 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 CFAMM00431166
Family CFFBM14936 Thromboxane-A synthase inhibitor (E)-7-[4-[5-[(2S,4S,5R)-5-[(Z)-5-carboxypent-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]pentoxy]phenyl]-7-pyridin-3-ylhept-6-enoic acid family
Superfamily CFSBM6466 Prelamin-A/C and Beta-lactamase Binder Superfamily 105
Class CFCCD189 Class 1002
External ID CHEMBL40425 External Source CHEMBL
PubChem CID 10055313 Functional Category Bioactive
Molecule Name (E)-7-[4-[[4-[(2S,4S,5R)-5-[(Z)-5-carboxypent-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]methoxy]phenyl]-7-pyridin-3-ylhept-6-enoic acid
IUPAC Name (E)-7-[4-[[4-[(2S,4S,5R)-5-[(Z)-5-carboxypent-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]methoxy]phenyl]-7-pyridin-3-ylhept-6-enoic acid
Synonyms CHEBI:163845
InChi InChI=1S/C41H43NO8/c43-37-14-8-7-13-36(37)40-33(10-3-1-5-15-38(44)45)28-49-41(50-40)31-19-17-29(18-20-31)27-48-34-23-21-30(22-24-34)35(32-11-9-25-42-26-32)12-4-2-6-16-39(46)47/h1,3,7-9,11-14,17-26,33,40-41,43H,2,4-6,10,15-16,27-28H2,(H,44,45)(H,46,47)/b3-1-,35-12+/t33-,40+,41+/m1/s1
InChiKey WSZBMZHOKZQCKV-LWGVXQQTSA-N
Formula C41H43NO8 Molecular Weight 677.78
Cross Link CHEMBL40425
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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