canSAR1746423
FEATURES
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NAMES
    SMILES
    Cc1nc(C)c(-c2ccc3ncnc(NCCc4c[nH]cn4)c3c2)s1
    InChI
    InChI=1S/C18H18N6S/c1-11-17(25-12(2)24-11)13-3-4-16-15(7-13)18(23-10-22-16)20-6-5-14-8-19-9-21-14/h3-4,7-10H,5-6H2,1-2H3,(H,19,21)(H,20,22,23)
    MOLECULAR FORMULA
    C18H18N6S
    CROSS REFERENCES
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    canSAR1746423
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight350.13
    AlogP3.75
    HBond donors2
    HBond acceptors6
    Atoms43
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746423.