TCMDC-132563
FEATURES
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NAMES
  • TCMDC-132563
SMILES
O=C(O)C(F)(F)F.c1cc(-c2ccc(CNCc3ccsc3)cc2)cc(-c2nc3ccccc3[nH]2)c1
InChI
InChI=1S/C25H21N3S.C2HF3O2/c1-2-7-24-23(6-1)27-25(28-24)22-5-3-4-21(14-22)20-10-8-18(9-11-20)15-26-16-19-12-13-29-17-19;3-2(4,5)1(6)7/h1-14,17,26H,15-16H2,(H,27,28);(H,6,7)
MOLECULAR FORMULA
C27H22F3N3O2S
CROSS REFERENCES
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TCMDC-132563
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight509.14
AlogP6.88
HBond donors3
HBond acceptors5
Atoms58
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132563.