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canSAR838388
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NAMES
    SMILES
    COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CN(C)[C@@H]1C2
    InChI
    InChI=1S/C27H31ClN2O2/c1-29-17-22(14-21-15-24-20(16-25(21)29)4-3-5-26(24)32-2)27(31)30-12-10-19(11-13-30)18-6-8-23(28)9-7-18/h3-10,21-22,25H,11-17H2,1-2H3/t21-,22-,25-/m1/s1
    MOLECULAR FORMULA
    C27H31ClN2O2
    CROSS REFERENCES
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    canSAR838388

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.21
    AlogP 4.70
    HBond donors 0
    HBond acceptors 4
    Atoms 63
    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 canSAR838388.