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Akagerine
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NAMES
  • Akagerine
SMILES
C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](O)C1)CCN2C
InChI
InChI=1S/C20H24N2O2/c1-3-13(12-23)14-10-18-20-16(8-9-21(18)2)15-6-4-5-7-17(15)22(20)19(24)11-14/h3-7,12,14,18-19,24H,8-11H2,1-2H3/b13-3-/t14-,18+,19+/m1/s1
MOLECULAR FORMULA
C20H24N2O2
CROSS REFERENCES
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Akagerine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 324.18
AlogP 3.22
HBond donors 1
HBond acceptors 4
Atoms 48
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Akagerine.