TCMDC-140132
FEATURES
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NAMES
  • TCMDC-140132
SMILES
CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(I)cc1C(C)(C)C.Cl
InChI
InChI=1S/C25H32IN3O2.ClH/c1-5-31-24-17(13-18(26)14-20(24)25(2,3)4)16-27-11-8-12-28-23-15-22(30)19-9-6-7-10-21(19)29-23;/h6-7,9-10,13-15,27H,5,8,11-12,16H2,1-4H3,(H2,28,29,30);1H
MOLECULAR FORMULA
C25H33ClIN3O2
CROSS REFERENCES
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TCMDC-140132
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight569.13
AlogP5.84
HBond donors3
HBond acceptors5
Atoms65
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140132.