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canSAR1972443
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NAMES
    SMILES
    Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NCC(=O)O)nc5)n4)CCC3)cn2)cn1
    InChI
    InChI=1S/C22H20N8O3/c23-21-27-9-14(10-28-21)16-4-3-15(11-24-16)22(6-1-7-22)20-29-19(33-30-20)13-2-5-17(25-8-13)26-12-18(31)32/h2-5,8-11H,1,6-7,12H2,(H,25,26)(H,31,32)(H2,23,27,28)
    MOLECULAR FORMULA
    C22H20N8O3
    CROSS REFERENCES
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    canSAR1972443

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.17
    AlogP 2.53
    HBond donors 4
    HBond acceptors 11
    Atoms 53
    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 canSAR1972443.