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canSAR1089129
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@H](Cc1ccc(OCCC(C)C)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O
    InChI
    InChI=1S/C36H55NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-21,26,30-31,46H,4-13,15-16,22-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31-,36+/m1/s1
    MOLECULAR FORMULA
    C36H55NO10
    CROSS REFERENCES
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    canSAR1089129

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 661.38
    AlogP 5.96
    HBond donors 5
    HBond acceptors 11
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1089129.