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canSAR498801
FEATURES
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NAMES
    SMILES
    C=C(CCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)[C@H](OC(=O)NCCCCCCCCCC)[C@H]2O)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1
    InChI
    InChI=1S/C36H51NO14/c1-5-6-7-8-9-10-11-15-20-37-33(46)49-28-27(39)34(50-29(30(40)41)35(47,31(42)43)36(28,51-34)32(44)45)19-18-22(2)26(48-24(4)38)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,39,47H,2,5-11,15,18-21H2,1,3-4H3,(H,37,46)(H,40,41)(H,42,43)(H,44,45)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/s1
    MOLECULAR FORMULA
    C36H51NO14
    CROSS REFERENCES
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    canSAR498801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 721.33
    AlogP 3.58
    HBond donors 6
    HBond acceptors 15
    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 canSAR498801.