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canSAR2047220
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NAMES
    SMILES
    O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ccc(-c3nnc(CO)o3)cc2Cl)CC1
    InChI
    InChI=1S/C21H17ClF3N5O3/c22-16-9-13(19-29-28-18(11-31)33-19)1-3-15(16)12-5-7-30(8-6-12)20(32)27-17-4-2-14(10-26-17)21(23,24)25/h1-5,9-10,31H,6-8,11H2,(H,26,27,32)
    MOLECULAR FORMULA
    C21H17ClF3N5O3
    CROSS REFERENCES
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    canSAR2047220

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.10
    AlogP 4.62
    HBond donors 2
    HBond acceptors 8
    Atoms 50
    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 canSAR2047220.