canSAR1651363
FEATURES
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NAMES
    SMILES
    O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCC(=O)N3CC(O)C[C@H]3C(=O)O)ccc21
    InChI
    InChI=1S/C23H19NO9/c25-13-7-16(23(28)29)24(9-13)21(26)10-30-14-2-3-15-18(8-14)33-20(22(15)27)6-12-1-4-17-19(5-12)32-11-31-17/h1-6,8,13,16,25H,7,9-11H2,(H,28,29)/b20-6-/t13?,16-/m0/s1
    MOLECULAR FORMULA
    C23H19NO9
    CROSS REFERENCES
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    canSAR1651363
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight453.11
    AlogP1.46
    HBond donors2
    HBond acceptors10
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651363.