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canSAR183519
FEATURES
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NAMES
    SMILES
    CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1
    InChI
    InChI=1S/C21H26N6O3S/c1-2-8-31-21-23-19(22-13-9-12(13)11-6-4-3-5-7-11)16-20(24-21)27(26-25-16)14-10-15(28)18(30)17(14)29/h3-7,12-15,17-18,28-30H,2,8-10H2,1H3,(H,22,23,24)/t12-,13+,14+,15-,17-,18+/m0/s1
    MOLECULAR FORMULA
    C21H26N6O3S
    CROSS REFERENCES
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    canSAR183519

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.18
    AlogP 1.72
    HBond donors 4
    HBond acceptors 9
    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 canSAR183519.