TCMDC-137802
FEATURES
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NAMES
  • TCMDC-137802
SMILES
Br.c1cc(C2=NC3CCCCC3N2)ccc1OCCCCCOc1ccc(C2=NC3CCCCC3N2)cc1
InChI
InChI=1S/C31H40N4O2.BrH/c1(6-20-36-24-16-12-22(13-17-24)30-32-26-8-2-3-9-27(26)33-30)7-21-37-25-18-14-23(15-19-25)31-34-28-10-4-5-11-29(28)35-31;/h12-19,26-29H,1-11,20-21H2,(H,32,33)(H,34,35);1H
MOLECULAR FORMULA
C31H41BrN4O2
CROSS REFERENCES
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TCMDC-137802
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight580.24
AlogP6.21
HBond donors2
HBond acceptors6
Atoms79
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-137802.