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canSAR1501241
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NAMES
    SMILES
    CC(=O)C(=NNc1ccccc1)Sc1nnc(CCc2ccccc2)n1-c1ccccc1
    InChI
    InChI=1S/C25H23N5OS/c1-19(31)24(28-26-21-13-7-3-8-14-21)32-25-29-27-23(18-17-20-11-5-2-6-12-20)30(25)22-15-9-4-10-16-22/h2-16,26H,17-18H2,1H3
    MOLECULAR FORMULA
    C25H23N5OS
    CROSS REFERENCES
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    canSAR1501241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.16
    AlogP 5.16
    HBond donors 1
    HBond acceptors 6
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1501241.