CFam Chemical Families Database
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You are searching for "CFAMM00403402" in compound.

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CFAM Mol ID CFAMM00403402
Family CFFBM10633 Disintegrin and metalloproteinase domain-containing protein 17 and Disintegrin and metalloproteinase domain-containing protein 17 inhibitor N-[1-(3,3-dimethylbutanoyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide family
Superfamily CFSBM367 Disintegrin and metalloproteinase domain-containing protein 17 Binder Superfamily 2
Class CFCAD297 Class 297
External ID CHEMBL601873 External Source CHEMBL
PubChem CID 45104756 Functional Category Bioactive
Molecule Name AGN-PC-07AKSW
IUPAC Name propan-2-yl 1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
Synonyms SureCN1243049;CHEBI:702555;propan-2-yl 1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
InChi InChI=1S/C32H39N3O5/c1-22(2)40-31(37)26-20-35(21-32(3,4)28-25-8-5-6-9-27(25)33-29(26)28)30(36)23-10-12-24(13-11-23)39-17-7-14-34-15-18-38-19-16-34/h5-6,8-13,20,22,33H,7,14-19,21H2,1-4H3
InChiKey CCNIWPQOOWKWHQ-UHFFFAOYSA-N
Formula C32H39N3O5 Molecular Weight 545.67
Cross Link CHEMBL601873
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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