1132065 logo
canSAR1132065
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1Cn1cc(-c2cc(=O)c(O)cn2O)nn1)c1csc(N)n1)C(=O)O
    InChI
    InChI=1S/C20H21N9O11S2/c1-20(2,18(34)35)40-25-14(9-7-41-19(21)22-9)16(32)23-15-11(29(17(15)33)42(37,38)39)5-27-4-8(24-26-27)10-3-12(30)13(31)6-28(10)36/h3-4,6-7,11,15,31,36H,5H2,1-2H3,(H2,21,22)(H,23,32)(H,34,35)(H,37,38,39)/b25-14-/t11-,15+/m1/s1
    MOLECULAR FORMULA
    C20H21N9O11S2
    CROSS REFERENCES
    1132065 logo

    canSAR1132065

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 627.08
    AlogP -2.13
    HBond donors 7
    HBond acceptors 20
    Atoms 63
    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 canSAR1132065.