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canSAR1986598
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NAMES
    SMILES
    CC(=O)Nc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
    InChI
    InChI=1S/C22H22N4O3/c1-13(17-10-22(28)25-12-17)29-20-9-16(8-19-18(20)4-3-7-23-19)15-5-6-21(24-11-15)26-14(2)27/h3-9,11,13,17H,10,12H2,1-2H3,(H,25,28)(H,24,26,27)/t13-,17-/m1/s1
    MOLECULAR FORMULA
    C22H22N4O3
    CROSS REFERENCES
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    canSAR1986598

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.17
    AlogP 3.16
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    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 canSAR1986598.