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canSAR1524776
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NAMES
    SMILES
    C=CCNc1nc(NCCCN2CCCC2=O)c2sc(-c3ccccc3)cc2n1
    InChI
    InChI=1S/C22H25N5OS/c1-2-11-24-22-25-17-15-18(16-8-4-3-5-9-16)29-20(17)21(26-22)23-12-7-14-27-13-6-10-19(27)28/h2-5,8-9,15H,1,6-7,10-14H2,(H2,23,24,25,26)
    MOLECULAR FORMULA
    C22H25N5OS
    CROSS REFERENCES
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    canSAR1524776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.18
    AlogP 4.38
    HBond donors 2
    HBond acceptors 6
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1524776.