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canSAR54713
FEATURES
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NAMES
    SMILES
    Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc(F)cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21
    InChI
    InChI=1S/C32H30FN5O3/c1-36-19-27(26-9-5-6-10-28(26)36)32(40)41-21-25-18-37(17-23-11-13-24(33)14-12-23)29-20-38(35-30(29)31(39)34-25)16-15-22-7-3-2-4-8-22/h2-14,19-20,25H,15-18,21H2,1H3,(H,34,39)/t25-/m1/s1
    MOLECULAR FORMULA
    C32H30FN5O3
    CROSS REFERENCES
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    canSAR54713

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.23
    AlogP 4.73
    HBond donors 1
    HBond acceptors 8
    Atoms 71
    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 canSAR54713.