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canSAR1119343
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NAMES
    SMILES
    COc1cc(-c2ccccc2)nc2c(F)c(-c3nc([C@H]4C[C@@H](N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12
    InChI
    InChI=1S/C31H32FN7O/c1-37-12-14-38(15-13-37)21-16-20(17-21)31-36-28(29-30(33)34-10-11-39(29)31)23-9-8-22-25(40-2)18-24(35-27(22)26(23)32)19-6-4-3-5-7-19/h3-11,18,20-21H,12-17H2,1-2H3,(H2,33,34)/t20-,21+
    MOLECULAR FORMULA
    C31H32FN7O
    CROSS REFERENCES
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    canSAR1119343

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.27
    AlogP 4.83
    HBond donors 2
    HBond acceptors 8
    Atoms 72
    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 canSAR1119343.