canSAR540446
FEATURES
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NAMES
    SMILES
    CCCCN1C[C@H](C(=O)OC2CCCCC2)CC2c3cccc4c3c(cn4C(C)C)CC21
    InChI
    InChI=1S/C28H40N2O2/c1-4-5-14-29-17-21(28(31)32-22-10-7-6-8-11-22)15-24-23-12-9-13-25-27(23)20(16-26(24)29)18-30(25)19(2)3/h9,12-13,18-19,21-22,24,26H,4-8,10-11,14-17H2,1-3H3/t21-,24?,26?/m1/s1
    MOLECULAR FORMULA
    C28H40N2O2
    CROSS REFERENCES
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    canSAR540446
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight436.31
    AlogP6.23
    HBond donors0
    HBond acceptors4
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540446.