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canSAR1519773
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NAMES
    SMILES
    Cc1cc(C)c(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
    InChI
    InChI=1S/C29H26N4O3/c1-17-13-18(2)24(15-23(17)27-31-25-8-7-22(29(35)36)14-26(25)32-27)28(34)33-11-9-21(10-12-33)20-5-3-19(16-30)4-6-20/h3-8,13-15,21H,9-12H2,1-2H3,(H,31,32)(H,35,36)
    MOLECULAR FORMULA
    C29H26N4O3
    CROSS REFERENCES
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    canSAR1519773

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.20
    AlogP 5.44
    HBond donors 2
    HBond acceptors 7
    Atoms 62
    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 canSAR1519773.