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Akuammidine
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NAMES
  • Akuammidine
SMILES
C/C=C1/CN2[C@H]3C[C@H]1C(O)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12
InChI
InChI=1S/C20H22N2O3/c1-3-11-10-22-16-9-14(11)20(24,19(23)25-2)17(22)8-13-12-6-4-5-7-15(12)21-18(13)16/h3-7,14,16-17,21,24H,8-10H2,1-2H3/b11-3-/t14-,16+,17+,20?/m1/s1
MOLECULAR FORMULA
C20H22N2O3
CROSS REFERENCES
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Akuammidine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 338.16
AlogP 2.32
HBond donors 2
HBond acceptors 5
Atoms 47
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Akuammidine.