1126935 logo
canSAR1126935
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1ccccc1N1CCNCC1)c1csc(N2Cc3ccncc3C2)n1
    InChI
    InChI=1S/C21H22N6OS/c28-20(24-17-3-1-2-4-19(17)26-9-7-22-8-10-26)18-14-29-21(25-18)27-12-15-5-6-23-11-16(15)13-27/h1-6,11,14,22H,7-10,12-13H2,(H,24,28)
    MOLECULAR FORMULA
    C21H22N6OS
    CROSS REFERENCES
    1126935 logo

    canSAR1126935

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.16
    AlogP 2.72
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    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 canSAR1126935.