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canSAR837058
FEATURES
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NAMES
    SMILES
    CN(C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)c(F)c2ccccc12
    InChI
    InChI=1S/C35H34Cl2FN3O2S/c1-40(35(42)30-19-26(21-39)34(38)29-9-4-3-8-28(29)30)22-25(24-11-12-31(36)32(37)20-24)15-18-41-16-13-23(14-17-41)27-7-5-6-10-33(27)44(2)43/h3-12,19-20,23,25H,13-18,22H2,1-2H3/t25-,44+/m1/s1
    MOLECULAR FORMULA
    C35H34Cl2FN3O2S
    CROSS REFERENCES
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    canSAR837058

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 649.17
    AlogP 8.02
    HBond donors 0
    HBond acceptors 5
    Atoms 78
    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 canSAR837058.