canSAR538662
FEATURES
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NAMES
    SMILES
    Cc1c2c(-c3ccc(F)cc3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)nc2nn1-c1ccccc1
    InChI
    InChI=1S/C29H30FN3O4/c1-17(2)28-24(14-13-22(34)15-23(35)16-25(36)37)27(19-9-11-20(30)12-10-19)26-18(3)33(32-29(26)31-28)21-7-5-4-6-8-21/h4-14,17,22-23,34-35H,15-16H2,1-3H3,(H,36,37)/b14-13+/t22-,23-/m1/s1
    MOLECULAR FORMULA
    C29H30FN3O4
    CROSS REFERENCES
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    canSAR538662
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight503.22
    AlogP5.26
    HBond donors3
    HBond acceptors7
    Atoms67
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR538662.