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91B
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NAMES
  • 91B
SMILES
CN1CCN(c2cccc(CN)c2)CC1
InChI
InChI=1S/C12H19N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8,10,13H2,1H3
MOLECULAR FORMULA
C12H19N3
CROSS REFERENCES
  • UniChem: 22708808
  • canSAR: 1016623
  • PDBe (Protein Data Bank Europe): 91B
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91B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 205.16
AlogP 0.90
HBond donors 2
HBond acceptors 3
Atoms 34
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 91B.