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TCMDC-125724
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NAMES
  • TCMDC-125724
SMILES
CCCCCOc1ccc(/N=C2\C=C(O)C(=O)c3ccccc32)cc1
InChI
InChI=1S/C21H21NO3/c1-2-3-6-13-25-16-11-9-15(10-12-16)22-19-14-20(23)21(24)18-8-5-4-7-17(18)19/h4-5,7-12,14,23H,2-3,6,13H2,1H3/b22-19+
MOLECULAR FORMULA
C21H21NO3
CROSS REFERENCES
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TCMDC-125724

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 335.15
AlogP 5.01
HBond donors 1
HBond acceptors 4
Atoms 46
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 TCMDC-125724.