TCMDC-133812
FEATURES
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NAMES
  • TCMDC-133812
SMILES
O=C(O)C(F)(F)F.Oc1ccc(CCNc2nc(NCc3cccc(OCc4cccc(F)c4)c3)nc(N3CCNCC3)n2)cc1
InChI
InChI=1S/C29H32FN7O2.C2HF3O2/c30-24-5-1-4-23(17-24)20-39-26-6-2-3-22(18-26)19-33-28-34-27(32-12-11-21-7-9-25(38)10-8-21)35-29(36-28)37-15-13-31-14-16-37;3-2(4,5)1(6)7/h1-10,17-18,31,38H,11-16,19-20H2,(H2,32,33,34,35,36);(H,6,7)
MOLECULAR FORMULA
C31H33F4N7O4
CROSS REFERENCES
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TCMDC-133812
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight643.25
AlogP4.60
HBond donors5
HBond acceptors11
Atoms79
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-133812.