1065769 logo
canSAR1065769
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)c1cc(/C=C\[C@@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)on1
    InChI
    InChI=1S/C21H25N3O7S/c1-9-16-15(10(2)25)19(26)24(16)17(20(27)28)18(9)32-13-6-11(22-8-13)4-5-12-7-14(23-31-12)21(29)30-3/h4-5,7,9-11,13,15-16,22,25H,6,8H2,1-3H3,(H,27,28)/b5-4-/t9-,10-,11-,13+,15-,16-/m1/s1
    MOLECULAR FORMULA
    C21H25N3O7S
    CROSS REFERENCES
    1065769 logo

    canSAR1065769

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.14
    AlogP 1.09
    HBond donors 3
    HBond acceptors 10
    Atoms 57
    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 canSAR1065769.