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GDI
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NAMES
  • GDI
SMILES
N#Cc1ccc(-c2ccc(CC(C=N)NC(=O)C3CCCCN3)cc2)cc1
InChI
InChI=1S/C22H24N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,15,20-21,24-25H,1-3,12-13H2,(H,26,27)/b24-15+/t20-,21-/m0/s1
MOLECULAR FORMULA
C22H24N4O
CROSS REFERENCES
  • UniChem: 82237603
  • canSAR: 1148285
  • PDBe (Protein Data Bank Europe): GDI
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GDI

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 360.20
AlogP 3.04
HBond donors 3
HBond acceptors 5
Atoms 51
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 GDI.