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E3040 GLUCURONIDE
FEATURES
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NAMES
  • E3040 GLUCURONIDE
SMILES
CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2s1
InChI
InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1
MOLECULAR FORMULA
C22H25N3O7S
CROSS REFERENCES
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E3040 GLUCURONIDE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 475.14
AlogP 1.21
HBond donors 5
HBond acceptors 10
Atoms 58
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 E3040 GLUCURONIDE.