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canSAR1620598
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NAMES
    SMILES
    CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn(CC(=O)O)n4)cc3)c2n1
    InChI
    InChI=1S/C22H21N7O4/c1-13(2)17-11-33-22(32)29(17)18-7-8-28-21(25-18)16(9-24-28)14-3-5-15(6-4-14)20-23-12-27(26-20)10-19(30)31/h3-9,12-13,17H,10-11H2,1-2H3,(H,30,31)/t17-/m1/s1
    MOLECULAR FORMULA
    C22H21N7O4
    CROSS REFERENCES
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    canSAR1620598

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.17
    AlogP 2.72
    HBond donors 1
    HBond acceptors 11
    Atoms 54
    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 canSAR1620598.