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canSAR783760
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NAMES
    SMILES
    c1ccc2c3c([nH]c2c1)CN[C@H](Cn1cc(-c2ccsc2)nn1)C3
    InChI
    InChI=1S/C18H17N5S/c1-2-4-16-14(3-1)15-7-13(19-8-17(15)20-16)9-23-10-18(21-22-23)12-5-6-24-11-12/h1-6,10-11,13,19-20H,7-9H2/t13-/m0/s1
    MOLECULAR FORMULA
    C18H17N5S
    CROSS REFERENCES
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    canSAR783760

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 335.12
    AlogP 3.20
    HBond donors 2
    HBond acceptors 5
    Atoms 41
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR783760.