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canSAR1444361
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NAMES
    SMILES
    Cn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)cn1
    InChI
    InChI=1S/C18H16ClN7S/c1-25-9-11(8-21-25)22-18-20-7-10-3-4-13-14(15(10)23-18)16(26(2)24-13)17-12(19)5-6-27-17/h5-9H,3-4H2,1-2H3,(H,20,22,23)
    MOLECULAR FORMULA
    C18H16ClN7S
    CROSS REFERENCES
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    canSAR1444361

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.09
    AlogP 3.83
    HBond donors 1
    HBond acceptors 7
    Atoms 43
    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 canSAR1444361.