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canSAR50261
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NAMES
    SMILES
    O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
    InChI
    InChI=1S/C36H30ClN3O3/c37-27-14-15-28-26(22-27)13-12-25-9-6-18-38-33(25)32(28)24-16-19-39(20-17-24)36(43)31(21-23-7-2-1-3-8-23)40-34(41)29-10-4-5-11-30(29)35(40)42/h1-11,14-15,18,22,31H,12-13,16-17,19-21H2/t31-/m1/s1
    MOLECULAR FORMULA
    C36H30ClN3O3
    CROSS REFERENCES
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    canSAR50261

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.20
    AlogP 6.17
    HBond donors 0
    HBond acceptors 6
    Atoms 73
    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 canSAR50261.