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IY7
FEATURES
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NAMES
  • IY7
SMILES
NCCCCC(=O)NC1Cc2ccccc2C1Cc1ccc2c(c1C(=O)O)OCC(CCC(=O)O)O2
InChI
InChI=1S/C27H32N2O7/c28-12-4-3-7-23(30)29-21-14-16-5-1-2-6-19(16)20(21)13-17-8-10-22-26(25(17)27(33)34)35-15-18(36-22)9-11-24(31)32/h1-2,5-6,8,10,18,20-21H,3-4,7,9,11-15,28H2,(H,29,30)(H,31,32)(H,33,34)/t18-,20+,21-/m0/s1
MOLECULAR FORMULA
C27H32N2O7
CROSS REFERENCES
  • UniChem: 69974024
  • canSAR: 1148143
  • PDBe (Protein Data Bank Europe): IY7
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IY7

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 496.22
AlogP 2.89
HBond donors 5
HBond acceptors 9
Atoms 68
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 IY7.