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canSAR672666
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NAMES
    SMILES
    Cc1cc2c(NCCCN3CCN(C(=O)c4cncs4)CC3)nnc(-c3cccc([N+](=O)[O-])c3)c2n1C
    InChI
    InChI=1S/C25H28N8O3S/c1-17-13-20-23(30(17)2)22(18-5-3-6-19(14-18)33(35)36)28-29-24(20)27-7-4-8-31-9-11-32(12-10-31)25(34)21-15-26-16-37-21/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,27,29)
    MOLECULAR FORMULA
    C25H28N8O3S
    CROSS REFERENCES
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    canSAR672666

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.20
    AlogP 3.57
    HBond donors 1
    HBond acceptors 11
    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 canSAR672666.