TCMDC-140545
FEATURES
Loading...
NAMES
  • TCMDC-140545
SMILES
CC(C)CNCc1cccc(-c2ccc(CN(CCCN3CCN(C)CC3)C(=O)/C=C/c3ccccc3)cc2)c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C35H46N4O.C2HF3O2/c1-29(2)26-36-27-32-11-7-12-34(25-32)33-16-13-31(14-17-33)28-39(20-8-19-38-23-21-37(3)22-24-38)35(40)18-15-30-9-5-4-6-10-30;3-2(4,5)1(6)7/h4-7,9-18,25,29,36H,8,19-24,26-28H2,1-3H3;(H,6,7)/b18-15+;
MOLECULAR FORMULA
C37H47F3N4O3
CROSS REFERENCES
Loading...
TCMDC-140545
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight652.36
AlogP6.41
HBond donors2
HBond acceptors7
Atoms94
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140545.