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canSAR1715944
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NAMES
    SMILES
    Cc1cc(-c2ccnc(-n3ncc(C(=O)NCC4CCCO4)c3C3CC3)n2)c(C)s1
    InChI
    InChI=1S/C22H25N5O2S/c1-13-10-17(14(2)30-13)19-7-8-23-22(26-19)27-20(15-5-6-15)18(12-25-27)21(28)24-11-16-4-3-9-29-16/h7-8,10,12,15-16H,3-6,9,11H2,1-2H3,(H,24,28)
    MOLECULAR FORMULA
    C22H25N5O2S
    CROSS REFERENCES
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    canSAR1715944

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.17
    AlogP 3.79
    HBond donors 1
    HBond acceptors 7
    Atoms 55
    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 canSAR1715944.