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canSAR656431
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NAMES
    SMILES
    NC(=S)N/N=C1/C(=O)N(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2cc(Br)ccc21
    InChI
    InChI=1S/C23H21BrClN7OS/c24-14-1-3-17-20(11-14)32(22(33)21(17)28-29-23(26)34)13-30-7-9-31(10-8-30)19-5-6-27-18-12-15(25)2-4-16(18)19/h1-6,11-12H,7-10,13H2,(H3,26,29,34)/b28-21+
    MOLECULAR FORMULA
    C23H21BrClN7OS
    CROSS REFERENCES
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    canSAR656431

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.04
    AlogP 3.31
    HBond donors 3
    HBond acceptors 8
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR656431.