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

1016873 - Overview - Compound Synopsis

Synonyms
0S6
Molecular Formula
C20H19ClN4O2S
InChI
InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1
Smiles
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
Cross References
UniChem27265641
canSAR1016873
PDBe (Protein Data Bank Europe)0S6
ChEMBLCHEMBL3769755
BindingDB179283
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 414.0917245284.362660647No


Compounds with the same scaffold


Image of compound ID: 1016873
Murko Scaffold Family: 30 compoundsClick here to open a new canSAR search with these compounds

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