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canSAR838283
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NAMES
    SMILES
    Cc1ccc([C@@H](C)N2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1
    InChI
    InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14-,16-,17+,19-/m1/s1
    MOLECULAR FORMULA
    C21H26N2O2S
    CROSS REFERENCES
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    canSAR838283

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 370.17
    AlogP 4.29
    HBond donors 2
    HBond acceptors 4
    Atoms 52
    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 canSAR838283.