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canSAR836200
FEATURES
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NAMES
    SMILES
    CCCNc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
    InChI
    InChI=1S/C20H24N6O6S/c1-2-7-21-20-23-17-14(22-10-25(17)19-16(29)15(28)13(8-27)32-19)18(24-20)33-9-11-3-5-12(6-4-11)26(30)31/h3-6,10,13,15-16,19,27-29H,2,7-9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
    MOLECULAR FORMULA
    C20H24N6O6S
    CROSS REFERENCES
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    canSAR836200

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.15
    AlogP 1.46
    HBond donors 4
    HBond acceptors 12
    Atoms 57
    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 canSAR836200.