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B0T
FEATURES
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NAMES
  • B0T
SMILES
CCC(C)NC(=O)c1ccccc1CN(C)Cc1ccc2c(c1C(=O)O)OCC(CCC(=O)O)O2
InChI
InChI=1S/C26H32N2O7/c1-4-16(2)27-25(31)20-8-6-5-7-17(20)13-28(3)14-18-9-11-21-24(23(18)26(32)33)34-15-19(35-21)10-12-22(29)30/h5-9,11,16,19H,4,10,12-15H2,1-3H3,(H,27,31)(H,29,30)(H,32,33)/t16-,19-/m0/s1
MOLECULAR FORMULA
C26H32N2O7
CROSS REFERENCES
  • UniChem: 69963342
  • canSAR: 1148981
  • PDBe (Protein Data Bank Europe): B0T
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B0T

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 484.22
AlogP 3.55
HBond donors 3
HBond acceptors 9
Atoms 67
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 B0T.