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Abacopterin E
FEATURES
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NAMES
  • Abacopterin E
SMILES
Cc1c(O)c(C)c2c3c1O[C@H](c1ccc(O)cc1)C[C@@H]3O[C@H]1[C@H](O2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C23H26O9/c1-9-17(26)10(2)21-16-14(7-13(29-20(9)16)11-3-5-12(25)6-4-11)30-22-19(28)18(27)15(8-24)31-23(22)32-21/h3-6,13-15,18-19,22-28H,7-8H2,1-2H3/t13-,14-,15+,18+,19-,22+,23-/m0/s1
MOLECULAR FORMULA
C23H26O9
CROSS REFERENCES
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Abacopterin E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 446.16
AlogP 1.50
HBond donors 5
HBond acceptors 9
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 Abacopterin E.