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50J
FEATURES
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NAMES
  • 50J
SMILES
CNC(=O)c1ccc(NC(=O)c2cccc(-c3cn4ccnc4c(Nc4ccc(OC)c(OC)c4)n3)c2)cc1
InChI
InChI=1S/C29H26N6O4/c1-30-28(36)18-7-9-21(10-8-18)33-29(37)20-6-4-5-19(15-20)23-17-35-14-13-31-27(35)26(34-23)32-22-11-12-24(38-2)25(16-22)39-3/h4-17H,1-3H3,(H,30,36)(H,32,34)(H,33,37)
MOLECULAR FORMULA
C29H26N6O4
CROSS REFERENCES
  • UniChem: 31927836
  • canSAR: 1618795
  • PDBe (Protein Data Bank Europe): 50J
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50J

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 522.20
AlogP 4.77
HBond donors 3
HBond acceptors 10
Atoms 65
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 50J.