canSAR426040
FEATURES
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NAMES
    SMILES
    CCCCCCCCCC(=O)O[C@@H]1[C@H](OC)[C@@H]([C@@H](O[C@H]2OC(C(=O)N[C@H]3CCCCNC3=O)=C[C@H](O)[C@@H]2O)C(N)=O)O[C@H]1n1ccc(=O)[nH]c1=O
    InChI
    InChI=1S/C33H49N5O13/c1-3-4-5-6-7-8-9-13-22(41)49-27-24(47-2)25(50-31(27)38-16-14-21(40)37-33(38)46)26(28(34)43)51-32-23(42)19(39)17-20(48-32)30(45)36-18-12-10-11-15-35-29(18)44/h14,16-19,23-27,31-32,39,42H,3-13,15H2,1-2H3,(H2,34,43)(H,35,44)(H,36,45)(H,37,40,46)/t18-,19-,23-,24+,25-,26+,27+,31+,32+/m0/s1
    MOLECULAR FORMULA
    C33H49N5O13
    CROSS REFERENCES
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    canSAR426040
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight723.33
    AlogP-0.88
    HBond donors7
    HBond acceptors18
    Atoms100
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR426040.