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canSAR1959150
FEATURES
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NAMES
    SMILES
    CCn1nc2cc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c1OC
    InChI
    InChI=1S/C20H17F6N3O2/c1-3-29-18(31-2)15-5-4-12(8-16(15)28-29)17(30)27-10-11-6-13(19(21,22)23)9-14(7-11)20(24,25)26/h4-9H,3,10H2,1-2H3,(H,27,30)
    MOLECULAR FORMULA
    C20H17F6N3O2
    CROSS REFERENCES
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    canSAR1959150

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.12
    AlogP 5.03
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    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 canSAR1959150.