CFam Chemical Families Database
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You are searching for "CFAMM00485197" in compound.

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CFAM Mol ID CFAMM00485197
Family CFFBM28223 Peptidyl-prolyl cis-trans isomerase FKBP1A inhibitor Tetracyclic aza-amide, 10 family
Superfamily CFSBM10021 Peptidyl-prolyl cis-trans isomerase FKBP1A Binder Superfamily
Class CFCID926 Class 2276
External ID ZINC20112863 External Source ZINC
PubChem CID 6351008 Functional Category Natural Product
Molecule Name (S)-5-((6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2,4-dimethoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
IUPAC Name 5-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-[(2,4-dimethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Synonyms STOCK1N-28145;MolPort-002-514-838;ZINC20112863;MCULE-6901000341;5-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-[(2,4-dimethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
InChi InChI=1S/C28H35N3O7/c1-17-21-14-24(38-7)23(37-6)12-18(21)10-11-31(17)16-28(25(32)29(2)27(34)30(3)26(28)33)15-19-8-9-20(35-4)13-22(19)36-5/h8-9,12-14,17H,10-11,15-16H2,1-7H3/t17-/m0/s1
InChiKey LEIMFVQXZBMINP-KRWDZBQOSA-N
Formula C28H35N3O7 Molecular Weight 525.59
Cross Link
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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