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canSAR1954747
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NAMES
    SMILES
    COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc(CN4CCN(C)CC4)[nH]3)c3nccnc23)c1Cl
    InChI
    InChI=1S/C26H27Cl2N7O3/c1-34-8-10-35(11-9-34)14-15-13-31-26(32-15)33-25(36)17-5-4-16(23-24(17)30-7-6-29-23)20-21(27)18(37-2)12-19(38-3)22(20)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,31,32,33,36)
    MOLECULAR FORMULA
    C26H27Cl2N7O3
    CROSS REFERENCES
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    canSAR1954747

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.16
    AlogP 4.34
    HBond donors 2
    HBond acceptors 10
    Atoms 65
    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 canSAR1954747.