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canSAR1688752
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NAMES
    SMILES
    Cc1nn(C)c(C)c1-c1c(C#N)c(N)nc2c1CCCCCC2
    InChI
    InChI=1S/C18H23N5/c1-11-16(12(2)23(3)22-11)17-13-8-6-4-5-7-9-15(13)21-18(20)14(17)10-19/h4-9H2,1-3H3,(H2,20,21)
    MOLECULAR FORMULA
    C18H23N5
    CROSS REFERENCES
    1688752 logo

    canSAR1688752

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 309.20
    AlogP 3.21
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688752.