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canSAR1133716
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NAMES
    SMILES
    O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4ccccc4s3)n2)CC1
    InChI
    InChI=1S/C24H25N5OS/c30-19-12-10-17(11-13-19)25-23-26-18(14-16-6-2-1-3-7-16)15-22(28-23)29-24-27-20-8-4-5-9-21(20)31-24/h1-9,15,17,19,30H,10-14H2,(H2,25,26,27,28,29)/t17-,19-
    MOLECULAR FORMULA
    C24H25N5OS
    CROSS REFERENCES
    1133716 logo

    canSAR1133716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.18
    AlogP 5.14
    HBond donors 3
    HBond acceptors 6
    Atoms 56
    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 canSAR1133716.