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canSAR785104
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NAMES
    SMILES
    COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1(C)C
    InChI
    InChI=1S/C25H27N3O3/c1-25(2)27-15-20-18(17-11-7-8-12-19(17)26-20)14-21(27)23(29)28(25)22(24(30)31-3)13-16-9-5-4-6-10-16/h4-12,21-22,26H,13-15H2,1-3H3/t21-,22-/m0/s1
    MOLECULAR FORMULA
    C25H27N3O3
    CROSS REFERENCES
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    canSAR785104

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.21
    AlogP 3.26
    HBond donors 1
    HBond acceptors 6
    Atoms 58
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR785104.