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canSAR1128577
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NAMES
    SMILES
    COc1cccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)c1
    InChI
    InChI=1S/C18H18N6OS3/c1-11-7-12(2)24-16(19-11)20-17(23-24)26-10-15-21-22-18(28-15)27-9-13-5-4-6-14(8-13)25-3/h4-8H,9-10H2,1-3H3
    MOLECULAR FORMULA
    C18H18N6OS3
    CROSS REFERENCES
    1128577 logo

    canSAR1128577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.07
    AlogP 4.19
    HBond donors 0
    HBond acceptors 7
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1128577.