CFam Chemical Families Database
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You are searching for "CFAMM00486648" in compound.

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CFAM Mol ID CFAMM00486648
Family CFFBM28742 Prothrombin and Integrin alpha-IIb inhibitor ethyl 4-[[2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3H-1,4-benzoxazin-7-yl]-(pyridin-2-ylmethyl)amino]-4-oxobutanoate family
Superfamily CFSBM1910 Prelamin-A/C and Prothrombin Binder Superfamily
Class CFCCD9 Class 822
External ID CHEMBL468464 External Source CHEMBL
PubChem CID 25107770 Functional Category Bioactive
Molecule Name ethyl 4-[[2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3H-1,4-benzoxazin-7-yl]-(pyridin-2-ylmethyl)amino]-4-oxobutanoate
IUPAC Name ethyl 4-[[2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3H-1,4-benzoxazin-7-yl]-(pyridin-2-ylmethyl)amino]-4-oxobutanoate
Synonyms CHEBI:571128
InChi InChI=1S/C30H35N5O5/c1-4-38-28(37)15-14-27(36)35(18-22-7-5-6-16-33-22)23-10-13-25-26(17-23)40-30(2,19-34(25)3)20-39-24-11-8-21(9-12-24)29(31)32/h5-13,16-17H,4,14-15,18-20H2,1-3H3,(H3,31,32)
InChiKey RQOLDEOLODYRCM-UHFFFAOYSA-N
Formula C30H35N5O5 Molecular Weight 545.63
Cross Link CHEMBL468464
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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