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canSAR1146094
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NAMES
    SMILES
    O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3[nH]ccc3c2)n1
    InChI
    InChI=1S/C21H20N6OS/c28-20(25-17-12-23-5-4-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)15-1-2-16-14(11-15)3-6-24-16/h1-6,11-13,22,24H,7-10H2,(H,25,28)
    MOLECULAR FORMULA
    C21H20N6OS
    CROSS REFERENCES
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    canSAR1146094

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.14
    AlogP 3.35
    HBond donors 3
    HBond acceptors 7
    Atoms 49
    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 canSAR1146094.