canSAR542977
FEATURES
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NAMES
    SMILES
    NCc1cc(-c2c[nH]c3ccc(Br)cc23)nc2cc(Cl)ccc12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H13BrClN3.C2HF3O2/c19-11-1-4-16-14(6-11)15(9-22-16)17-5-10(8-21)13-3-2-12(20)7-18(13)23-17;3-2(4,5)1(6)7/h1-7,9,22H,8,21H2;(H,6,7)
    MOLECULAR FORMULA
    C20H14BrClF3N3O2
    CROSS REFERENCES
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    canSAR542977
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight498.99
    AlogP5.89
    HBond donors4
    HBond acceptors5
    Atoms44
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR542977.