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1YR
FEATURES
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NAMES
  • 1YR
SMILES
N#C/C=C/c1cc(Br)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1
InChI
InChI=1S/C21H15BrClN3O4/c22-15-10-14(2-1-6-24)11-17(12-15)30-18-4-3-16(23)13-19(18)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+
MOLECULAR FORMULA
C21H15BrClN3O4
CROSS REFERENCES
  • UniChem: 32656165
  • canSAR: 1148705
  • PDBe (Protein Data Bank Europe): 1YR
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1YR

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 486.99
AlogP 4.36
HBond donors 1
HBond acceptors 7
Atoms 45
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 1YR.