canSAR1582318
FEATURES
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NAMES
    SMILES
    CN1CCN(c2ccc(C(=O)Nc3sc(Nc4cccc5cccnc45)nc3C(N)=O)cc2)CC1
    InChI
    InChI=1S/C25H25N7O2S/c1-31-12-14-32(15-13-31)18-9-7-17(8-10-18)23(34)30-24-21(22(26)33)29-25(35-24)28-19-6-2-4-16-5-3-11-27-20(16)19/h2-11H,12-15H2,1H3,(H2,26,33)(H,28,29)(H,30,34)
    MOLECULAR FORMULA
    C25H25N7O2S
    CROSS REFERENCES
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    canSAR1582318
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight487.18
    AlogP3.54
    HBond donors4
    HBond acceptors9
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1582318.