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DUQ
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NAMES
  • DUQ
SMILES
O=C(NCCO)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O
InChI
InChI=1S/C30H31N3O5/c34-20-18-31-28(36)23(22-33-19-16-27(35)32-29(33)37)17-21-38-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,19,23,34H,17-18,20-22H2,(H,31,36)(H,32,35,37)/t23-/m0/s1
MOLECULAR FORMULA
C30H31N3O5
CROSS REFERENCES
  • UniChem: 27265455
  • canSAR: 1016480
  • PDBe (Protein Data Bank Europe): DUQ
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DUQ

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 513.23
AlogP 2.66
HBond donors 3
HBond acceptors 8
Atoms 69
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 DUQ.