1863041 logo
canSAR1863041
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(CCNC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)cc1OC
    InChI
    InChI=1S/C22H25N5O4S/c1-26-21(29)20-15(10-12-32-20)27-18(24-25-22(26)27)5-4-6-19(28)23-11-9-14-7-8-16(30-2)17(13-14)31-3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,23,28)
    MOLECULAR FORMULA
    C22H25N5O4S
    CROSS REFERENCES
    1863041 logo

    canSAR1863041

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.16
    AlogP 2.34
    HBond donors 1
    HBond acceptors 9
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1863041.