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4SB
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NAMES
  • 4SB
SMILES
NCC[C@@H](C(=O)N/N=C/c1ccc(O)c(Br)c1)c1ccccc1
InChI
InChI=1S/C17H18BrN3O2/c18-15-10-12(6-7-16(15)22)11-20-21-17(23)14(8-9-19)13-4-2-1-3-5-13/h1-7,10-11,14,22H,8-9,19H2,(H,21,23)/b20-11+/t14-/m1/s1
MOLECULAR FORMULA
C17H18BrN3O2
CROSS REFERENCES
  • UniChem: 1077855
  • canSAR: 962982
  • PDBe (Protein Data Bank Europe): 4SB
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4SB

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 375.06
AlogP 2.74
HBond donors 4
HBond acceptors 5
Atoms 41
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 4SB.