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canSAR56242
FEATURES
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NAMES
    SMILES
    COCCN(C(=O)c1sccc1Cl)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1
    InChI
    InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3/t25-,26-/m1/s1
    MOLECULAR FORMULA
    C28H30ClN3O2S
    CROSS REFERENCES
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    canSAR56242

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.17
    AlogP 5.45
    HBond donors 0
    HBond acceptors 5
    Atoms 65
    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 canSAR56242.