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canSAR645119
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NAMES
    SMILES
    Cc1cc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)c(O)c(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c1.Cl
    InChI
    InChI=1S/C40H38N8O.ClH/c1-27-19-29(22-47(21-28-11-3-2-4-12-28)24-37-41-31-13-5-6-14-32(31)42-37)40(49)30(20-27)23-48(25-38-43-33-15-7-8-16-34(33)44-38)26-39-45-35-17-9-10-18-36(35)46-39;/h2-20,49H,21-26H2,1H3,(H,41,42)(H,43,44)(H,45,46);1H
    MOLECULAR FORMULA
    C40H39ClN8O
    CROSS REFERENCES
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    canSAR645119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 682.29
    AlogP 8.16
    HBond donors 4
    HBond acceptors 9
    Atoms 89
    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 canSAR645119.