canSAR540928
FEATURES
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NAMES
    SMILES
    COc1ccc(CNc2nnc(N3CCSCC3)c3ccc(C#N)cc23)cc1Cl
    InChI
    InChI=1S/C21H20ClN5OS/c1-28-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-29-9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C21H20ClN5OS
    CROSS REFERENCES
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    canSAR540928
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight425.11
    AlogP4.33
    HBond donors1
    HBond acceptors6
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540928.