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O4N
FEATURES
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NAMES
  • O4N
SMILES
C=CCN(Cc1ccccc1C(=O)NC(CCC)c1ccc(OC)cc1)Cc1ccc2c(c1C(=O)O)OCO2
InChI
InChI=1S/C31H34N2O6/c1-4-8-26(21-11-14-24(37-3)15-12-21)32-30(34)25-10-7-6-9-22(25)18-33(17-5-2)19-23-13-16-27-29(39-20-38-27)28(23)31(35)36/h5-7,9-16,26H,2,4,8,17-20H2,1,3H3,(H,32,34)(H,35,36)/t26-/m0/s1
MOLECULAR FORMULA
C31H34N2O6
CROSS REFERENCES
  • UniChem: 59730165
  • canSAR: 1017272
  • PDBe (Protein Data Bank Europe): O4N
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O4N

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 530.24
AlogP 5.58
HBond donors 2
HBond acceptors 8
Atoms 73
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by O4N.