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canSAR1094605
FEATURES
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NAMES
    SMILES
    CO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5
    InChI
    InChI=1S/C21H25NO4/c1-25-21-7-6-15(24)19-20(21)8-9-22(11-12-2-3-12)16(21)10-13-4-5-14(23)18(26-19)17(13)20/h4-5,12,16,19,23H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1
    MOLECULAR FORMULA
    C21H25NO4
    CROSS REFERENCES
    1094605 logo

    canSAR1094605

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.18
    AlogP 2.18
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR1094605.