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canSAR836618
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NAMES
    SMILES
    Cn1c(CSc2ccc(F)cc2)nc2c(CN3CCCC3)c(O)ccc21
    InChI
    InChI=1S/C20H22FN3OS/c1-23-17-8-9-18(25)16(12-24-10-2-3-11-24)20(17)22-19(23)13-26-15-6-4-14(21)5-7-15/h4-9,25H,2-3,10-13H2,1H3
    MOLECULAR FORMULA
    C20H22FN3OS
    CROSS REFERENCES
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    canSAR836618

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 371.15
    AlogP 4.31
    HBond donors 1
    HBond acceptors 4
    Atoms 48
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR836618.