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canSAR1068489
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NAMES
    SMILES
    C#Cc1cnc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)cc1NC
    InChI
    InChI=1S/C18H21N7O/c1-6-13-9-22-16(7-14(13)20-3)23-17-10-21-15(8-19)18(24-17)26-12(2)11-25(4)5/h1,7,9-10,12H,11H2,2-5H3,(H2,20,22,23,24)/t12-/m1/s1
    MOLECULAR FORMULA
    C18H21N7O
    CROSS REFERENCES
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    canSAR1068489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 351.18
    AlogP 1.84
    HBond donors 2
    HBond acceptors 8
    Atoms 47
    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 canSAR1068489.