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canSAR782138
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NAMES
    SMILES
    Cc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@H](c2ccc(C)cc2)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccccc32)cc1
    InChI
    InChI=1S/C33H33N3O2S/c1-21-8-12-23(13-9-21)16-25-17-35(3)19-32(30(25)37)29(24-14-10-22(2)11-15-24)28-18-39-20-36(28)33(32)26-6-4-5-7-27(26)34-31(33)38/h4-16,28-29H,17-20H2,1-3H3,(H,34,38)/b25-16+/t28-,29+,32-,33-/m0/s1
    MOLECULAR FORMULA
    C33H33N3O2S
    CROSS REFERENCES
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    canSAR782138

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.23
    AlogP 5.21
    HBond donors 1
    HBond acceptors 5
    Atoms 72
    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 canSAR782138.