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canSAR18642
FEATURES
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NAMES
    SMILES
    CCC(C)C(=O)C1=C(O)OC2=C(C(CC(=O)O)c3ccccc3)C(C)(C)C(CCC(C)(C)NC(C)=O)CC2(CC=C(C)C)C1=O
    InChI
    InChI=1S/C37H51NO7/c1-10-23(4)31(42)29-32(43)37(19-16-22(2)3)21-26(17-18-35(6,7)38-24(5)39)36(8,9)30(33(37)45-34(29)44)27(20-28(40)41)25-14-12-11-13-15-25/h11-16,23,26-27,44H,10,17-21H2,1-9H3,(H,38,39)(H,40,41)
    MOLECULAR FORMULA
    C37H51NO7
    CROSS REFERENCES
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    canSAR18642

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 621.37
    AlogP 7.57
    HBond donors 3
    HBond acceptors 8
    Atoms 96
    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 canSAR18642.