353116 logo
TCMDC-123540
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • TCMDC-123540
SMILES
CCSc1nnc(C2CCCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)n1CC
InChI
InChI=1S/C20H25ClF3N5OS/c1-3-29-18(26-27-19(29)31-4-2)13-6-5-9-28(11-13)12-17(30)25-16-10-14(20(22,23)24)7-8-15(16)21/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,25,30)
MOLECULAR FORMULA
C20H25ClF3N5OS
CROSS REFERENCES
353116 logo

TCMDC-123540

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 475.14
AlogP 4.90
HBond donors 1
HBond acceptors 6
Atoms 56
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-123540.