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canSAR2087646
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NAMES
    SMILES
    N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3cscn3)csc12)Cc1ccccc1
    InChI
    InChI=1S/C25H20N6S2/c26-20(12-17-4-2-1-3-5-17)13-28-25-23-22(30-24(31-25)18-8-10-27-11-9-18)19(14-33-23)6-7-21-15-32-16-29-21/h1-5,8-11,14-16,20H,12-13,26H2,(H,28,30,31)/t20-/m0/s1
    MOLECULAR FORMULA
    C25H20N6S2
    CROSS REFERENCES
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    canSAR2087646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.12
    AlogP 4.59
    HBond donors 3
    HBond acceptors 6
    Atoms 53
    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 canSAR2087646.