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canSAR2017253
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NAMES
    SMILES
    Cc1ccc(-c2csc(=Nc3cccnc3)n2CCCN2CCCC2=O)cc1C
    InChI
    InChI=1S/C23H26N4OS/c1-17-8-9-19(14-18(17)2)21-16-29-23(25-20-6-3-10-24-15-20)27(21)13-5-12-26-11-4-7-22(26)28/h3,6,8-10,14-16H,4-5,7,11-13H2,1-2H3
    MOLECULAR FORMULA
    C23H26N4OS
    CROSS REFERENCES
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    canSAR2017253

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.18
    AlogP 4.47
    HBond donors 0
    HBond acceptors 5
    Atoms 55
    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 canSAR2017253.