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canSAR1019153
FEATURES
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NAMES
    SMILES
    C[C@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@@H](N)[C@@H]1O
    InChI
    InChI=1S/C21H21NO7/c1-9-19(25)13(22)7-16(29-9)28-8-10-5-12-18(15(24)6-10)21(27)17-11(20(12)26)3-2-4-14(17)23/h2-6,9,13,16,19,23-25H,7-8,22H2,1H3/t9-,13-,16-,19-/m1/s1
    MOLECULAR FORMULA
    C21H21NO7
    CROSS REFERENCES
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    canSAR1019153

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.13
    AlogP 1.21
    HBond donors 5
    HBond acceptors 8
    Atoms 50
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1019153.