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canSAR1128756
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NAMES
    SMILES
    Cc1nc(-c2nc3c(s2)CCOc2cc(-c4cnn(CCO)c4)ccc2-3)n(C(C)C)n1
    InChI
    InChI=1S/C22H24N6O2S/c1-13(2)28-21(24-14(3)26-28)22-25-20-17-5-4-15(16-11-23-27(12-16)7-8-29)10-18(17)30-9-6-19(20)31-22/h4-5,10-13,29H,6-9H2,1-3H3
    MOLECULAR FORMULA
    C22H24N6O2S
    CROSS REFERENCES
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    canSAR1128756

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.17
    AlogP 3.75
    HBond donors 1
    HBond acceptors 8
    Atoms 55
    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 canSAR1128756.