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canSAR670741
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NAMES
    SMILES
    O=C(NCc1ccc(Cl)cc1)c1cn2c(CN3CCNCC3)cc3cc(CN4CCOCC4)cc(c1=O)c32
    InChI
    InChI=1S/C29H32ClN5O3/c30-23-3-1-20(2-4-23)16-32-29(37)26-19-35-24(18-33-7-5-31-6-8-33)15-22-13-21(14-25(27(22)35)28(26)36)17-34-9-11-38-12-10-34/h1-4,13-15,19,31H,5-12,16-18H2,(H,32,37)
    MOLECULAR FORMULA
    C29H32ClN5O3
    CROSS REFERENCES
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    canSAR670741

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.22
    AlogP 2.71
    HBond donors 2
    HBond acceptors 8
    Atoms 70
    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 canSAR670741.