990826 logo
canSAR990826
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)CC[C@@H](NC(=O)c1cc(CNc2ccc(/C=C3\SC(=S)NC3=O)cc2)ccc1O)C(=O)O
    InChI
    InChI=1S/C23H21N3O7S2/c27-17-7-3-13(9-15(17)20(30)25-16(22(32)33)6-8-19(28)29)11-24-14-4-1-12(2-5-14)10-18-21(31)26-23(34)35-18/h1-5,7,9-10,16,24,27H,6,8,11H2,(H,25,30)(H,28,29)(H,32,33)(H,26,31,34)/b18-10-/t16-/m1/s1
    MOLECULAR FORMULA
    C23H21N3O7S2
    CROSS REFERENCES
    990826 logo

    canSAR990826

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.08
    AlogP 2.54
    HBond donors 6
    HBond acceptors 10
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR990826.