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canSAR838760
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NAMES
    SMILES
    Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C(C)C)c3ccccc3)C[C@@H]2C1
    InChI
    InChI=1S/C28H37N3O2/c1-19(2)27(32)29-25(22-11-6-5-7-12-22)13-14-30-15-23-17-31(18-24(23)16-30)28(33)26-20(3)9-8-10-21(26)4/h5-12,19,23-25H,13-18H2,1-4H3,(H,29,32)/t23-,24+,25-/m0/s1
    MOLECULAR FORMULA
    C28H37N3O2
    CROSS REFERENCES
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    canSAR838760

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.29
    AlogP 4.21
    HBond donors 1
    HBond acceptors 5
    Atoms 70
    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 canSAR838760.