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canSAR844587
FEATURES
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NAMES
    SMILES
    C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@@H](OC)C1)CCN2C
    InChI
    InChI=1S/C21H26N2O3/c1-4-13(12-24)14-9-19-21-16(7-8-22(19)2)17-11-15(25)5-6-18(17)23(21)20(10-14)26-3/h4-6,11-12,14,19-20,25H,7-10H2,1-3H3/b13-4-/t14-,19+,20+/m1/s1
    MOLECULAR FORMULA
    C21H26N2O3
    CROSS REFERENCES
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    canSAR844587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 354.19
    AlogP 3.58
    HBond donors 1
    HBond acceptors 5
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR844587.