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canSAR1121444
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NAMES
    SMILES
    O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@@H](Cc3c[nH]c4ccccc34)CO[C@@H]1C2
    InChI
    InChI=1S/C27H22F2N4O5/c28-16-6-5-14(20(29)8-16)9-31-26(36)19-11-32-12-22-33(27(37)23(32)25(35)24(19)34)17(13-38-22)7-15-10-30-21-4-2-1-3-18(15)21/h1-6,8,10-11,17,22,30,35H,7,9,12-13H2,(H,31,36)/t17-,22+/m0/s1
    MOLECULAR FORMULA
    C27H22F2N4O5
    CROSS REFERENCES
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    canSAR1121444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.16
    AlogP 2.67
    HBond donors 3
    HBond acceptors 9
    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 canSAR1121444.