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canSAR846417
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NAMES
    SMILES
    Cc1ccc(-c2csc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)n2)cc1
    InChI
    InChI=1S/C20H20N2O4S2/c1-9-4-6-12(7-5-9)13-8-27-20(21-13)28-17-10(2)15-14(11(3)23)18(24)22(15)16(17)19(25)26/h4-8,10-11,14-15,23H,1-3H3,(H,25,26)/t10-,11-,14-,15-/m1/s1
    MOLECULAR FORMULA
    C20H20N2O4S2
    CROSS REFERENCES
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    canSAR846417

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.09
    AlogP 3.36
    HBond donors 2
    HBond acceptors 6
    Atoms 48
    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 canSAR846417.