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canSAR2086711
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NAMES
    SMILES
    C[C@@H](N)CNc1nc(-c2ccncc2)nc2cc(C(C)(C)C)sc12
    InChI
    InChI=1S/C18H23N5S/c1-11(19)10-21-17-15-13(9-14(24-15)18(2,3)4)22-16(23-17)12-5-7-20-8-6-12/h5-9,11H,10,19H2,1-4H3,(H,21,22,23)/t11-/m1/s1
    MOLECULAR FORMULA
    C18H23N5S
    CROSS REFERENCES
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    canSAR2086711

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 341.17
    AlogP 3.81
    HBond donors 3
    HBond acceptors 5
    Atoms 47
    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 canSAR2086711.