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Demethyllavendamycin Methyl Ester
FEATURES
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NAMES
  • Demethyllavendamycin Methyl Ester
SMILES
COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(N)=CC3=O)n1
InChI
InChI=1S/C22H14N4O4/c1-30-22(29)16-8-12-10-4-2-3-5-14(10)24-18(12)20(26-16)15-7-6-11-17(27)9-13(23)21(28)19(11)25-15/h2-9,24H,23H2,1H3
MOLECULAR FORMULA
C22H14N4O4
CROSS REFERENCES
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Demethyllavendamycin Methyl Ester

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 398.10
AlogP 2.79
HBond donors 3
HBond acceptors 8
Atoms 44
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 Demethyllavendamycin Methyl Ester.