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canSAR1646910
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NAMES
    SMILES
    CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
    InChI
    InChI=1S/C20H24ClN7O/c1-22-11-18(29)25-12-4-6-13(7-5-12)26-20-27-16(9-17(21)28-20)15-10-24-19-14(15)3-2-8-23-19/h2-3,8-10,12-13,22H,4-7,11H2,1H3,(H,23,24)(H,25,29)(H,26,27,28)
    MOLECULAR FORMULA
    C20H24ClN7O
    CROSS REFERENCES
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    canSAR1646910

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.17
    AlogP 2.73
    HBond donors 4
    HBond acceptors 8
    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 canSAR1646910.