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canSAR503500
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NAMES
    SMILES
    COC(=O)c1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1
    InChI
    InChI=1S/C34H47ClN4O3/c1-25(2)38-22-30(27-11-13-29(35)14-12-27)31(23-38)32(40)37-17-19-39(20-18-37)34(15-5-4-6-16-34)24-36-21-26-7-9-28(10-8-26)33(41)42-3/h7-14,25,30-31,36H,4-6,15-24H2,1-3H3/t30-,31+/m1/s1
    MOLECULAR FORMULA
    C34H47ClN4O3
    CROSS REFERENCES
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    canSAR503500

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.33
    AlogP 5.19
    HBond donors 1
    HBond acceptors 7
    Atoms 89
    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 canSAR503500.