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canSAR566081
FEATURES
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NAMES
    SMILES
    C[S+](C[C@@H]1OC(n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)C1C=CC(N)C1
    InChI
    InChI=1S/C16H23N6O3S/c1-26(9-3-2-8(17)4-9)5-10-12(23)13(24)16(25-10)22-7-21-11-14(18)19-6-20-15(11)22/h2-3,6-10,12-13,16,23-24H,4-5,17H2,1H3,(H2,18,19,20)/q+1/t8?,9?,10-,12-,13-,16?,26?/m0/s1
    MOLECULAR FORMULA
    C16H23N6O3S+
    CROSS REFERENCES
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    canSAR566081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.15
    AlogP -1.07
    HBond donors 6
    HBond acceptors 9
    Atoms 49
    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 canSAR566081.