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canSAR1966820
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NAMES
    SMILES
    N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@H]4F)c3c2Cl)CC12CC2
    InChI
    InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12-,13+/m1/s1
    MOLECULAR FORMULA
    C19H18ClF2N3O3
    CROSS REFERENCES
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    canSAR1966820

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.10
    AlogP 2.70
    HBond donors 3
    HBond acceptors 6
    Atoms 46
    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 canSAR1966820.