TCMDC-139731
FEATURES
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NAMES
  • TCMDC-139731
SMILES
CCOc1ccc(C(=O)Nc2cc(Br)c3c(c2)CNCC3)cc1C#N.Cl
InChI
InChI=1S/C19H18BrN3O2.ClH/c1-2-25-18-4-3-12(7-13(18)10-21)19(24)23-15-8-14-11-22-6-5-16(14)17(20)9-15;/h3-4,7-9,22H,2,5-6,11H2,1H3,(H,23,24);1H
MOLECULAR FORMULA
C19H19BrClN3O2
CROSS REFERENCES
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TCMDC-139731
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight435.03
AlogP4.04
HBond donors2
HBond acceptors5
Atoms45
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-139731.