canSAR1088799
FEATURES
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NAMES
    SMILES
    O=C1COc2ccc(C(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc2N1
    InChI
    InChI=1S/C25H18N4O3S/c30-20(18-11-12-21-19(13-18)26-22(31)14-32-21)15-33-25-27-23(16-7-3-1-4-8-16)24(28-29-25)17-9-5-2-6-10-17/h1-13H,14-15H2,(H,26,31)
    MOLECULAR FORMULA
    C25H18N4O3S
    CROSS REFERENCES
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    canSAR1088799
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight454.11
    AlogP4.51
    HBond donors1
    HBond acceptors7
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1088799.