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canSAR1017704
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NAMES
    SMILES
    COc1ccc(-c2nc3c(NCCCNC(=O)C4CCCC4)c(Br)cnc3[nH]2)cc1
    InChI
    InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28)
    MOLECULAR FORMULA
    C22H26BrN5O2
    CROSS REFERENCES
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    canSAR1017704

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.13
    AlogP 4.50
    HBond donors 3
    HBond acceptors 7
    Atoms 56
    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 canSAR1017704.