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canSAR1633471
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NAMES
    SMILES
    COC(=O)[C@@]12C[C@@H](CC(=O)NCCC(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2
    InChI
    InChI=1S/C30H44N2O6/c1-20(2)11-14-31-26(33)17-22-18-30(28(35)38-7)19-29(3,4)13-10-25(30)32(27(22)34)15-12-21-8-9-23(36-5)24(16-21)37-6/h8-10,16,20,22H,11-15,17-19H2,1-7H3,(H,31,33)/t22-,30-/m1/s1
    MOLECULAR FORMULA
    C30H44N2O6
    CROSS REFERENCES
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    canSAR1633471

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.32
    AlogP 4.51
    HBond donors 1
    HBond acceptors 8
    Atoms 82
    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 canSAR1633471.