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canSAR163814
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NAMES
    SMILES
    COc1cccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)c1
    InChI
    InChI=1S/C33H47ClN4O2/c1-25(2)37-22-30(27-10-12-28(34)13-11-27)31(23-37)32(39)36-16-18-38(19-17-36)33(14-5-4-6-15-33)24-35-21-26-8-7-9-29(20-26)40-3/h7-13,20,25,30-31,35H,4-6,14-19,21-24H2,1-3H3/t30-,31+/m1/s1
    MOLECULAR FORMULA
    C33H47ClN4O2
    CROSS REFERENCES
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    canSAR163814

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.34
    AlogP 5.41
    HBond donors 1
    HBond acceptors 6
    Atoms 87
    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 canSAR163814.