TCMDC-133083
FEATURES
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NAMES
  • TCMDC-133083
SMILES
CS(=O)(=O)NCCCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C23H23F3N4O2S2.C2HF3O2/c1-34(31,32)28-11-3-10-27-14-15-4-2-5-16(12-15)20-8-9-21(33-20)22-29-18-7-6-17(23(24,25)26)13-19(18)30-22;3-2(4,5)1(6)7/h2,4-9,12-13,27-28H,3,10-11,14H2,1H3,(H,29,30);(H,6,7)
MOLECULAR FORMULA
C25H24F6N4O4S2
CROSS REFERENCES
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TCMDC-133083
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight622.11
AlogP5.64
HBond donors4
HBond acceptors8
Atoms65
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-133083.