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canSAR1151716
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NAMES
    SMILES
    COc1ccccc1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12
    InChI
    InChI=1S/C26H25ClN4O4/c1-15(2)12-21(26(33)34)29-25(32)20-14-23(18-6-4-5-7-24(18)35-3)31(30-20)22-10-11-28-19-13-16(27)8-9-17(19)22/h4-11,13-15,21H,12H2,1-3H3,(H,29,32)(H,33,34)/t21-/m1/s1
    MOLECULAR FORMULA
    C26H25ClN4O4
    CROSS REFERENCES
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    canSAR1151716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.16
    AlogP 4.98
    HBond donors 2
    HBond acceptors 8
    Atoms 60
    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 canSAR1151716.