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canSAR352293
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NAMES
    SMILES
    Cc1ccc2c(N)nsc2c1-c1ccc2c(N3CCOC[C@@H]3C)nncc2c1
    InChI
    InChI=1S/C21H21N5OS/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/m0/s1
    MOLECULAR FORMULA
    C21H21N5OS
    CROSS REFERENCES
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    canSAR352293

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.15
    AlogP 4.02
    HBond donors 2
    HBond acceptors 6
    Atoms 49
    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 canSAR352293.