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canSAR1766379
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NAMES
    SMILES
    Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NCc5nccn5C)cc4c3)n2)c1
    InChI
    InChI=1S/C22H20ClN9O/c1-31-11-18(27-12-31)16-3-4-25-22(30-16)28-14-7-13-8-17(29-20(13)15(23)9-14)21(33)26-10-19-24-5-6-32(19)2/h3-9,11-12,29H,10H2,1-2H3,(H,26,33)(H,25,28,30)
    MOLECULAR FORMULA
    C22H20ClN9O
    CROSS REFERENCES
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    canSAR1766379

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.15
    AlogP 3.42
    HBond donors 3
    HBond acceptors 10
    Atoms 53
    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 canSAR1766379.