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canSAR1434458
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NAMES
    SMILES
    Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CO)c4cccc5cc[nH]c45)ncc23)ccn1
    InChI
    InChI=1S/C23H21N7O2/c1-13-9-15(6-7-24-13)22-17-11-26-20(10-18(17)29-30-22)28-23(32)27-19(12-31)16-4-2-3-14-5-8-25-21(14)16/h2-11,19,25,31H,12H2,1H3,(H,29,30)(H2,26,27,28,32)/t19-/m0/s1
    MOLECULAR FORMULA
    C23H21N7O2
    CROSS REFERENCES
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    canSAR1434458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.18
    AlogP 3.66
    HBond donors 5
    HBond acceptors 9
    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 canSAR1434458.