Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1103688 - Overview - Compound Synopsis

Synonyms
1YA
Molecular Formula
C20H23N7O7
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11-,13-/m0/s1
Smiles
Nc1nc2c(c(=O)[nH]1)NC(CN(C=O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2
Cross References
UniChem34729390
canSAR1103688
PDBe (Protein Data Bank Europe)1YA
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 473.165896076-0.731181457No


Compounds with the same scaffold


Image of compound ID: 1103688
Murko Scaffold Family: 163 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12