TCMDC-134612
FEATURES
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NAMES
  • TCMDC-134612
SMILES
O=C(Nc1cccc(CN2CCCN(Cc3ccsc3)CC2)c1)c1cc2ccccc2s1.O=C(O)C(F)(F)F
InChI
InChI=1S/C26H27N3OS2.C2HF3O2/c30-26(25-16-22-6-1-2-8-24(22)32-25)27-23-7-3-5-20(15-23)17-28-10-4-11-29(13-12-28)18-21-9-14-31-19-21;3-2(4,5)1(6)7/h1-3,5-9,14-16,19H,4,10-13,17-18H2,(H,27,30);(H,6,7)
MOLECULAR FORMULA
C28H28F3N3O3S2
CROSS REFERENCES
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TCMDC-134612
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight575.15
AlogP6.56
HBond donors2
HBond acceptors6
Atoms67
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-134612.