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TDR85985
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NAMES
  • TDR85985
SMILES
Cc1ccnc(Nc2ccc(NCCNC(=O)c3cccc(C(F)(F)F)c3)nn2)c1
InChI
InChI=1S/C20H19F3N6O/c1-13-7-8-24-18(11-13)27-17-6-5-16(28-29-17)25-9-10-26-19(30)14-3-2-4-15(12-14)20(21,22)23/h2-8,11-12H,9-10H2,1H3,(H,25,28)(H,26,30)(H,24,27,29)
MOLECULAR FORMULA
C20H19F3N6O
CROSS REFERENCES
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TDR85985

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 416.16
AlogP 3.78
HBond donors 3
HBond acceptors 7
Atoms 49
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 TDR85985.