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Crebanine
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NAMES
  • Crebanine
SMILES
COc1ccc2c(c1OC)CC1c3c(cc4c(c3-2)OCO4)CCN1C
InChI
InChI=1S/C20H21NO4/c1-21-7-6-11-8-16-20(25-10-24-16)18-12-4-5-15(22-2)19(23-3)13(12)9-14(21)17(11)18/h4-5,8,14H,6-7,9-10H2,1-3H3
MOLECULAR FORMULA
C20H21NO4
CROSS REFERENCES
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Crebanine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 339.15
AlogP 3.18
HBond donors 0
HBond acceptors 5
Atoms 46
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 Crebanine.