canSAR824367
FEATURES
Loading...
NAMES
    SMILES
    COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](COC(=O)c4ccc(Br)cc4)N3[C@@H](C#N)[C@H](C2)N1C
    InChI
    InChI=1S/C33H30BrN3O8/c1-14-27(38)18-11-21-26-25-19(28(39)15(2)32(44-5)30(25)41)10-20(36(26)3)22(12-35)37(21)23(24(18)29(40)31(14)43-4)13-45-33(42)16-6-8-17(34)9-7-16/h6-9,20-23,26H,10-11,13H2,1-5H3/t20-,21-,22-,23-,26-/m0/s1
    MOLECULAR FORMULA
    C33H30BrN3O8
    CROSS REFERENCES
    Loading...
    canSAR824367
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight675.12
    AlogP2.76
    HBond donors0
    HBond acceptors11
    Atoms75
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824367.