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canSAR1832681
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NAMES
    SMILES
    Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)C2C5
    InChI
    InChI=1S/C30H32N2O4/c1-18-4-2-3-5-20(18)9-11-25(35)31-30-13-12-23(34)28-29(30)14-15-32(17-19-6-7-19)24(30)16-21-8-10-22(33)27(36-28)26(21)29/h2-5,8-11,19,24,28,33H,6-7,12-17H2,1H3,(H,31,35)/b11-9+/t24?,28-,29-,30+/m0/s1
    MOLECULAR FORMULA
    C30H32N2O4
    CROSS REFERENCES
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    canSAR1832681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.24
    AlogP 3.67
    HBond donors 2
    HBond acceptors 6
    Atoms 68
    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 canSAR1832681.