TCMDC-132828
FEATURES
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NAMES
  • TCMDC-132828
SMILES
CNCCNCc1ccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)s2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C22H24N4S.C2HF3O2/c1-15-4-3-5-18-21(15)26-22(25-18)20-11-10-19(27-20)17-8-6-16(7-9-17)14-24-13-12-23-2;3-2(4,5)1(6)7/h3-11,23-24H,12-14H2,1-2H3,(H,25,26);(H,6,7)
MOLECULAR FORMULA
C24H25F3N4O2S
CROSS REFERENCES
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TCMDC-132828
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight490.17
AlogP5.21
HBond donors4
HBond acceptors6
Atoms59
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132828.