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canSAR1126855
FEATURES
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NAMES
    SMILES
    CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1
    InChI
    InChI=1S/C40H49Cl2N5O4/c1-7-51-34-26-30(38(2,3)4)12-17-33(34)36-43-39(5,28-8-13-31(41)14-9-28)40(6,29-10-15-32(42)16-11-29)47(36)37(49)46-20-18-44(19-21-46)27-35(48)45-22-24-50-25-23-45/h8-17,26H,7,18-25,27H2,1-6H3/t39-,40+/m0/s1
    MOLECULAR FORMULA
    C40H49Cl2N5O4
    CROSS REFERENCES
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    canSAR1126855

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 733.32
    AlogP 7.18
    HBond donors 0
    HBond acceptors 9
    Atoms 100
    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 canSAR1126855.