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canSAR791420
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NAMES
    SMILES
    OC[C@@H](Nc1ncnc2sc3c(c12)CCC3)c1ccccc1
    InChI
    InChI=1S/C17H17N3OS/c21-9-13(11-5-2-1-3-6-11)20-16-15-12-7-4-8-14(12)22-17(15)19-10-18-16/h1-3,5-6,10,13,21H,4,7-9H2,(H,18,19,20)/t13-/m1/s1
    MOLECULAR FORMULA
    C17H17N3OS
    CROSS REFERENCES
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    canSAR791420

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 311.11
    AlogP 3.33
    HBond donors 2
    HBond acceptors 4
    Atoms 39
    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 canSAR791420.