CFam Chemical Families Database
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You are searching for "CFAMM00453522" in compound.

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CFAM Mol ID CFAMM00453522
Family CFFBM19886 Plasminogen activator inhibitor 1 inhibitor 2-[2-methoxy-6-[[4-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]anilino]methyl]phenoxy]-5-nitrobenzoic acid family
Superfamily CFSID2268 Tyrosine-protein phosphatase non-receptor type 1 Ligand Oxalylaminobenzoic Acid Superfamily
Class CFCID1364 Class 2714
External ID CHEMBL326348 External Source CHEMBL
PubChem CID 44341689 Functional Category Bioactive
Molecule Name 2-[2-[[4-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]anilino]methyl]-4-nitrophenoxy]benzoic acid
IUPAC Name 2-[2-[[4-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]anilino]methyl]-4-nitrophenoxy]benzoic acid
Synonyms CHEBI:287009
InChi InChI=1S/C33H39N3O7/c1-21(2)27-14-8-22(3)16-31(27)42-20-32(37)35-18-23-9-11-25(12-10-23)34-19-24-17-26(36(40)41)13-15-29(24)43-30-7-5-4-6-28(30)33(38)39/h4-7,9-13,15,17,21-22,27,31,34H,8,14,16,18-20H2,1-3H3,(H,35,37)(H,38,39)/t22-,27+,31-/m1/s1
InChiKey HUGMEDDMIOXSGE-YETRJBRWSA-N
Formula C33H39N3O7 Molecular Weight 589.68
Cross Link CHEMBL326348
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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