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canSAR8441
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NAMES
    SMILES
    OCC1OC(n2cnc3c(Cl)nc(Nc4cc(Cl)cc(Cl)c4)nc32)CC1O
    InChI
    InChI=1S/C16H14Cl3N5O3/c17-7-1-8(18)3-9(2-7)21-16-22-14(19)13-15(23-16)24(6-20-13)12-4-10(26)11(5-25)27-12/h1-3,6,10-12,25-26H,4-5H2,(H,21,22,23)
    MOLECULAR FORMULA
    C16H14Cl3N5O3
    CROSS REFERENCES
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    canSAR8441

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.02
    AlogP 3.17
    HBond donors 3
    HBond acceptors 8
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR8441.