2089403 logo
canSAR2089403
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc([C@H]2SCC(=O)N2NC(=O)c2nccnc2N)cc1OC
    InChI
    InChI=1S/C16H17N5O4S/c1-24-10-4-3-9(7-11(10)25-2)16-21(12(22)8-26-16)20-15(23)13-14(17)19-6-5-18-13/h3-7,16H,8H2,1-2H3,(H2,17,19)(H,20,23)/t16-/m1/s1
    MOLECULAR FORMULA
    C16H17N5O4S
    CROSS REFERENCES
    2089403 logo

    canSAR2089403

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.10
    AlogP 0.99
    HBond donors 3
    HBond acceptors 9
    Atoms 43
    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 canSAR2089403.