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canSAR1018286
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NAMES
    SMILES
    CCSc1nc(NCCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
    InChI
    InChI=1S/C20H25N5O4S/c1-2-30-20-23-17(21-9-8-12-6-4-3-5-7-12)14-18(24-20)25(11-22-14)19-16(28)15(27)13(10-26)29-19/h3-7,11,13,15-16,19,26-28H,2,8-10H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
    MOLECULAR FORMULA
    C20H25N5O4S
    CROSS REFERENCES
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    canSAR1018286

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.16
    AlogP 1.20
    HBond donors 4
    HBond acceptors 9
    Atoms 55
    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 canSAR1018286.