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canSAR1770021
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NAMES
    SMILES
    CCOCCCN=C(S)N1CCCN(c2nc3cc(C)c(C)cc3cc2C#N)CC1
    InChI
    InChI=1S/C23H31N5OS/c1-4-29-12-5-7-25-23(30)28-9-6-8-27(10-11-28)22-20(16-24)15-19-13-17(2)18(3)14-21(19)26-22/h13-15H,4-12H2,1-3H3,(H,25,30)
    MOLECULAR FORMULA
    C23H31N5OS
    CROSS REFERENCES
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    canSAR1770021

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.22
    AlogP 3.95
    HBond donors 0
    HBond acceptors 6
    Atoms 61
    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 canSAR1770021.