783821 logo
canSAR783821
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C[C@@]1(C)CC(=O)[C@]2(O)C3(C)[C@@H](OC(=O)Nc4ccccc4)CCC(C)(C)[C@@H]3C(O)C(OC(C)=O)[C@@]2(C)O1
    InChI
    InChI=1S/C29H39NO8/c1-8-26(5)16-19(32)29(35)27(6)20(37-24(34)30-18-12-10-9-11-13-18)14-15-25(3,4)22(27)21(33)23(36-17(2)31)28(29,7)38-26/h8-13,20-23,33,35H,1,14-16H2,2-7H3,(H,30,34)/t20-,21?,22-,23?,26-,27?,28+,29-/m0/s1
    MOLECULAR FORMULA
    C29H39NO8
    CROSS REFERENCES
    783821 logo

    canSAR783821

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.27
    AlogP 3.78
    HBond donors 3
    HBond acceptors 9
    Atoms 77
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR783821.