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canSAR1025254
FEATURES
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NAMES
    SMILES
    CCSc1nc(NCCc2ccc(OC)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
    InChI
    InChI=1S/C21H27N5O5S/c1-3-32-21-24-18(22-9-8-12-4-6-13(30-2)7-5-12)15-19(25-21)26(11-23-15)20-17(29)16(28)14(10-27)31-20/h4-7,11,14,16-17,20,27-29H,3,8-10H2,1-2H3,(H,22,24,25)/t14-,16-,17-,20-/m1/s1
    MOLECULAR FORMULA
    C21H27N5O5S
    CROSS REFERENCES
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    canSAR1025254

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.17
    AlogP 1.21
    HBond donors 4
    HBond acceptors 10
    Atoms 59
    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 canSAR1025254.