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47K
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NAMES
  • 47K
SMILES
CC1CCN(CC(=O)Nc2cc(C(C)C)no2)CC1
InChI
InChI=1S/C14H23N3O2/c1-10(2)12-8-14(19-16-12)15-13(18)9-17-6-4-11(3)5-7-17/h8,10-11H,4-7,9H2,1-3H3,(H,15,18)
MOLECULAR FORMULA
C14H23N3O2
CROSS REFERENCES
  • UniChem: 23664033
  • canSAR: 1636033
  • PDBe (Protein Data Bank Europe): 47K
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47K

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 265.18
AlogP 2.47
HBond donors 1
HBond acceptors 5
Atoms 42
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 47K.