canSAR1647645
FEATURES
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NAMES
    SMILES
    C=C(C)CC1N(c2cccc(OC)c2)C(=O)[C@@H]2C(C(=O)O)[C@@H]3C=C[C@@]12O3
    InChI
    InChI=1S/C20H21NO5/c1-11(2)9-15-20-8-7-14(26-20)16(19(23)24)17(20)18(22)21(15)12-5-4-6-13(10-12)25-3/h4-8,10,14-17H,1,9H2,2-3H3,(H,23,24)/t14-,15?,16?,17-,20+/m0/s1
    MOLECULAR FORMULA
    C20H21NO5
    CROSS REFERENCES
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    canSAR1647645
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight355.14
    AlogP2.40
    HBond donors1
    HBond acceptors6
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1647645.