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canSAR1205016
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NAMES
    SMILES
    C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)C2(C1)C(c1cccc3ccccc13)C(c1ccccc1)NC21C(=O)Nc2ccccc21
    InChI
    InChI=1S/C45H35N3O3/c1-2-39(49)48-27-33(26-32-20-12-18-29-14-6-8-21-34(29)32)42(50)44(28-48)40(36-23-13-19-30-15-7-9-22-35(30)36)41(31-16-4-3-5-17-31)47-45(44)37-24-10-11-25-38(37)46-43(45)51/h2-26,40-41,47H,1,27-28H2,(H,46,51)/b33-26+
    MOLECULAR FORMULA
    C45H35N3O3
    CROSS REFERENCES
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    canSAR1205016

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 665.27
    AlogP 7.94
    HBond donors 2
    HBond acceptors 6
    Atoms 86
    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 canSAR1205016.