1401460 logo
canSAR1401460
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CS(=O)(=O)CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cnn[nH]3)CS[C@H]12
    InChI
    InChI=1S/C13H15N5O6S3/c1-27(23,24)5-7(19)15-9-11(20)18-10(13(21)22)6(4-26-12(9)18)3-25-8-2-14-17-16-8/h2,9,12H,3-5H2,1H3,(H,15,19)(H,21,22)(H,14,16,17)/t9-,12-/m1/s1
    MOLECULAR FORMULA
    C13H15N5O6S3
    CROSS REFERENCES
    1401460 logo

    canSAR1401460

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.02
    AlogP -1.32
    HBond donors 3
    HBond acceptors 11
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1401460.