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canSAR792587
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NAMES
    SMILES
    O=C(O)[C@@H]1C[C@H]2C[C@@H](c3csc(-c4nn[nH]n4)c3)CC[C@H]2CN1
    InChI
    InChI=1S/C15H19N5O2S/c21-15(22)12-4-10-3-8(1-2-9(10)6-16-12)11-5-13(23-7-11)14-17-19-20-18-14/h5,7-10,12,16H,1-4,6H2,(H,21,22)(H,17,18,19,20)/t8-,9-,10+,12-/m0/s1
    MOLECULAR FORMULA
    C15H19N5O2S
    CROSS REFERENCES
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    canSAR792587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 333.13
    AlogP 1.87
    HBond donors 3
    HBond acceptors 7
    Atoms 42
    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 canSAR792587.