CFam Chemical Families Database
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You are searching for "CFAMM00431170" in compound.

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CFAM Mol ID CFAMM00431170
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 CHEMBL263516 External Source CHEMBL
PubChem CID 10101127 Functional Category Bioactive
Molecule Name (E)-7-[4-[5-[(2S,4S,5R)-5-[(Z)-5-carboxypent-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]-5-methylhexoxy]phenyl]-7-pyridin-3-ylhept-6-enoic acid
IUPAC Name (E)-7-[4-[5-[(2S,4S,5R)-5-[(Z)-5-carboxypent-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]-5-methylhexoxy]phenyl]-7-pyridin-3-ylhept-6-enoic acid
Synonyms CHEBI:162552
InChi InChI=1S/C41H51NO8/c1-41(2,40-49-29-32(14-5-3-7-19-37(44)45)39(50-40)35-17-9-10-18-36(35)43)25-11-12-27-48-33-23-21-30(22-24-33)34(31-15-13-26-42-28-31)16-6-4-8-20-38(46)47/h3,5,9-10,13,15-18,21-24,26,28,32,39-40,43H,4,6-8,11-12,14,19-20,25,27,29H2,1-2H3,(H,44,45)(H,46,47)/b5-3-,34-16+/t32-,39+,40+/m1/s1
InChiKey ITAHOABBCLVCGE-FLJLBPKESA-N
Formula C41H51NO8 Molecular Weight 685.85
Cross Link CHEMBL263516
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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