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canSAR1690080
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NAMES
    SMILES
    CC1(C)N=C(N)N=C(N)N1c1cccc(CN)c1.CCS(=O)(=O)O
    InChI
    InChI=1S/C12H18N6.C2H6O3S/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13;1-2-6(3,4)5/h3-6H,7,13H2,1-2H3,(H4,14,15,16,17);2H2,1H3,(H,3,4,5)
    MOLECULAR FORMULA
    C14H24N6O3S
    CROSS REFERENCES
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    canSAR1690080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.16
    AlogP 0.22
    HBond donors 7
    HBond acceptors 9
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1690080.