canSAR539930
FEATURES
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NAMES
    SMILES
    CCCc1cc(CCC)n2nc(SCc3cccnc3)nc2n1.O=S(=O)(O)O
    InChI
    InChI=1S/C17H21N5S.H2O4S/c1-3-6-14-10-15(7-4-2)22-16(19-14)20-17(21-22)23-12-13-8-5-9-18-11-13;1-5(2,3)4/h5,8-11H,3-4,6-7,12H2,1-2H3;(H2,1,2,3,4)
    MOLECULAR FORMULA
    C17H23N5O4S2
    CROSS REFERENCES
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    canSAR539930
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight425.12
    AlogP3.06
    HBond donors2
    HBond acceptors9
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539930.