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canSAR833461
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CSc4nnnn4CCO)C3)[C@H](C)[C@H]12
    InChI
    InChI=1S/C18H26N6O5S2/c1-8-13-12(9(2)26)16(27)24(13)14(17(28)29)15(8)31-11-5-10(19-6-11)7-30-18-20-21-22-23(18)3-4-25/h8-13,19,25-26H,3-7H2,1-2H3,(H,28,29)/t8-,9-,10+,11+,12-,13-/m1/s1
    MOLECULAR FORMULA
    C18H26N6O5S2
    CROSS REFERENCES
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    canSAR833461

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.14
    AlogP -0.63
    HBond donors 4
    HBond acceptors 11
    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 canSAR833461.