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canSAR46450
FEATURES
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NAMES
    SMILES
    CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2CCC2C3[C@H](C(=O)O)CC[C@]3(C(=O)NCCCCCCCCCCC(=O)O)CC[C@]21C
    InChI
    InChI=1S/C39H65NO6/c1-35(2)28-18-21-38(5)29(36(28,3)20-19-30(35)41)16-15-27-32-26(33(44)45)17-22-39(32,24-23-37(27,38)4)34(46)40-25-13-11-9-7-6-8-10-12-14-31(42)43/h26-30,32,41H,6-25H2,1-5H3,(H,40,46)(H,42,43)(H,44,45)/t26-,27?,28?,29?,30?,32?,36+,37-,38-,39+/m1/s1
    MOLECULAR FORMULA
    C39H65NO6
    CROSS REFERENCES
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    canSAR46450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 643.48
    AlogP 8.23
    HBond donors 4
    HBond acceptors 7
    Atoms 111
    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 canSAR46450.