TCMDC-133087
FEATURES
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NAMES
  • TCMDC-133087
SMILES
CS(=O)(=O)NCCCNCc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C25H25F3N4O2S.C2HF3O2/c1-35(33,34)30-13-3-12-29-16-17-6-8-18(9-7-17)19-4-2-5-20(14-19)24-31-22-11-10-21(25(26,27)28)15-23(22)32-24;3-2(4,5)1(6)7/h2,4-11,14-15,29-30H,3,12-13,16H2,1H3,(H,31,32);(H,6,7)
MOLECULAR FORMULA
C27H26F6N4O4S
CROSS REFERENCES
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TCMDC-133087
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight616.16
AlogP5.58
HBond donors4
HBond acceptors8
Atoms68
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-133087.