TCMDC-137016
FEATURES
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NAMES
  • TCMDC-137016
SMILES
Cc1cc(N2CCN(CC3CCN(C)CC3)CC2)nc(Nc2ccc(Br)cc2)n1
InChI
InChI=1S/C22H31BrN6/c1-17-15-21(26-22(24-17)25-20-5-3-19(23)4-6-20)29-13-11-28(12-14-29)16-18-7-9-27(2)10-8-18/h3-6,15,18H,7-14,16H2,1-2H3,(H,24,25,26)
MOLECULAR FORMULA
C22H31BrN6
CROSS REFERENCES
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TCMDC-137016
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight458.18
AlogP3.75
HBond donors1
HBond acceptors6
Atoms60
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-137016.