CFam Chemical Families Database
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You are searching for "CFAMM00068388" in compound.

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CFAM Mol ID CFAMM00068388
Family CFFAD466 Peptide deformylase, mitochondrial Inhibitor Trimetrexate Family
Superfamily CFSAD405 Peptide deformylase, mitochondrial Inhibitor Trimetrexate Superfamily
Class CFCAD377 Class 377
External ID CHEMBL120821 External Source CHEMBL
PubChem CID 479426 Functional Category Bioactive
Molecule Name AC1LA0MH
IUPAC Name 6-[(3,4,5-trimethoxy-N-prop-2-ynylanilino)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Synonyms CTK5J0716;CHEBI:300023;AG-K-20371;2,4-Quinazolinediamine, 5,6,7,8-tetrahydro-6-[[2-propynyl(3,4,5-trimethoxyphenyl)amino]methyl]-;6-[(3,4,5-trimethoxy-N-prop-2-ynylanilino)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine;6-{[prop-2-yn-1-yl(3,4,5-trimethoxyphenyl)amino]methyl}-5,6,7,8-tetrahydroquinazoline-2,4-diamine
InChi InChI=1S/C21H27N5O3/c1-5-8-26(14-10-17(27-2)19(29-4)18(11-14)28-3)12-13-6-7-16-15(9-13)20(22)25-21(23)24-16/h1,10-11,13H,6-9,12H2,2-4H3,(H4,22,23,24,25)
InChiKey GSNSXRQZCOZUTN-UHFFFAOYSA-N
Formula C21H27N5O3 Molecular Weight 397.47
Cross Link CHEMBL120821
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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