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canSAR838994
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NAMES
    SMILES
    O=C(NCc1cccc(-c2cccc(CN3C[C@@H]4C[C@H]3CN4)c2)c1)c1ccc2c(c1)OCO2
    InChI
    InChI=1S/C27H27N3O3/c31-27(22-7-8-25-26(11-22)33-17-32-25)29-13-18-3-1-5-20(9-18)21-6-2-4-19(10-21)15-30-16-23-12-24(30)14-28-23/h1-11,23-24,28H,12-17H2,(H,29,31)/t23-,24-/m0/s1
    MOLECULAR FORMULA
    C27H27N3O3
    CROSS REFERENCES
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    canSAR838994

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.21
    AlogP 3.56
    HBond donors 2
    HBond acceptors 6
    Atoms 60
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR838994.