canSAR632370
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3C(N)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C21H21NO7/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,23H,7-8,22H2,1-2H3/t12?,17-,18+,19?/m1/s1
    MOLECULAR FORMULA
    C21H21NO7
    CROSS REFERENCES
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    canSAR632370
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight399.13
    AlogP2.07
    HBond donors3
    HBond acceptors8
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR632370.