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canSAR1617663
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NAMES
    SMILES
    Cc1nnc(-n2nc(C)c(SCC(=O)Nc3ccc(C(C)C)cc3)c2C)nc1O
    InChI
    InChI=1S/C20H24N6O2S/c1-11(2)15-6-8-16(9-7-15)21-17(27)10-29-18-12(3)25-26(14(18)5)20-22-19(28)13(4)23-24-20/h6-9,11H,10H2,1-5H3,(H,21,27)(H,22,24,28)
    MOLECULAR FORMULA
    C20H24N6O2S
    CROSS REFERENCES
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    canSAR1617663

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.17
    AlogP 3.54
    HBond donors 2
    HBond acceptors 8
    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 canSAR1617663.