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N-(4-Methoxybenzoyl)Evodiamine
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NAMES
  • N-(4-Methoxybenzoyl)Evodiamine
SMILES
COc1ccc(C(=O)n2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)C32)cc1
InChI
InChI=1S/C27H23N3O3/c1-28-22-9-5-4-8-21(22)27(32)29-16-15-20-19-7-3-6-10-23(19)30(24(20)25(28)29)26(31)17-11-13-18(33-2)14-12-17/h3-14,25H,15-16H2,1-2H3
MOLECULAR FORMULA
C27H23N3O3
CROSS REFERENCES
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N-(4-Methoxybenzoyl)Evodiamine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 437.17
AlogP 4.49
HBond donors 0
HBond acceptors 6
Atoms 56
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 N-(4-Methoxybenzoyl)Evodiamine.