canSAR1417719
FEATURES
Loading...
NAMES
    SMILES
    CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)C(C)[C@H](OC(C)=O)[C@@H]1C
    InChI
    InChI=1S/C43H59N3O12/c1-21-12-11-13-22(2)42(54)44-33-28(20-46-17-15-45(9)16-18-46)37(51)30-31(38(33)52)36(50)26(6)40-32(30)41(53)43(8,58-40)56-19-14-29(55-10)23(3)39(57-27(7)47)25(5)35(49)24(4)34(21)48/h11-14,19,21,23-25,29,34-35,39,48-52H,15-18,20H2,1-10H3,(H,44,54)/b12-11?,19-14-,22-13-/t21-,23-,24+,25?,29-,34-,35-,39-,43-/m1/s1
    MOLECULAR FORMULA
    C43H59N3O12
    CROSS REFERENCES
    Loading...
    canSAR1417719
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight809.41
    AlogP4.50
    HBond donors6
    HBond acceptors15
    Atoms117
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417719.