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TCMDC-133505
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NAMES
  • TCMDC-133505
SMILES
Cc1ccccc1C1CCN(C2CCC(NC(=O)/C=C/c3cccc(F)c3)CC2)CC1
InChI
InChI=1S/C27H33FN2O/c1-20-5-2-3-8-26(20)22-15-17-30(18-16-22)25-12-10-24(11-13-25)29-27(31)14-9-21-6-4-7-23(28)19-21/h2-9,14,19,22,24-25H,10-13,15-18H2,1H3,(H,29,31)/b14-9+
MOLECULAR FORMULA
C27H33FN2O
CROSS REFERENCES
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TCMDC-133505

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 420.26
AlogP 5.45
HBond donors 1
HBond acceptors 3
Atoms 64
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 TCMDC-133505.