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Demecolcinone
FEATURES
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NAMES
  • Demecolcinone
SMILES
COC1=C2c3ccc(OC)c(=O)cc3[C@H]3CC4(C)N3C24C=C(O)C1=O
InChI
InChI=1S/C19H17NO5/c1-18-7-11-10-6-12(21)14(24-2)5-4-9(10)15-17(25-3)16(23)13(22)8-19(15,18)20(11)18/h4-6,8,11,22H,7H2,1-3H3/t11-,18?,19?,20?/m1/s1
MOLECULAR FORMULA
C19H17NO5
CROSS REFERENCES
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Demecolcinone

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 339.11
AlogP 1.71
HBond donors 1
HBond acceptors 6
Atoms 42
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 Demecolcinone.