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N-(3-Chlorobenzoyl)Evodiamine
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NAMES
  • N-(3-Chlorobenzoyl)Evodiamine
SMILES
CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4cccc(Cl)c4)c4ccccc34)C21
InChI
InChI=1S/C26H20ClN3O2/c1-28-21-11-4-3-10-20(21)26(32)29-14-13-19-18-9-2-5-12-22(18)30(23(19)24(28)29)25(31)16-7-6-8-17(27)15-16/h2-12,15,24H,13-14H2,1H3
MOLECULAR FORMULA
C26H20ClN3O2
CROSS REFERENCES
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N-(3-Chlorobenzoyl)Evodiamine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 441.12
AlogP 5.13
HBond donors 0
HBond acceptors 5
Atoms 52
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-(3-Chlorobenzoyl)Evodiamine.