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canSAR1060466
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NAMES
    SMILES
    COC(=O)c1cnc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)cc1SC
    InChI
    InChI=1S/C17H18N6O3S/c1-25-17(24)11-8-21-14(5-13(11)27-2)22-15-9-20-12(6-18)16(23-15)26-10-3-4-19-7-10/h5,8-10,19H,3-4,7H2,1-2H3,(H,21,22,23)/t10-/m1/s1
    MOLECULAR FORMULA
    C17H18N6O3S
    CROSS REFERENCES
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    canSAR1060466

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 386.12
    AlogP 1.74
    HBond donors 2
    HBond acceptors 9
    Atoms 45
    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 canSAR1060466.