661047 logo
canSAR661047
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1=C/C(=C/c2sc3ccccc3[n+]2C)N=C2Sc3cc(OCCO)ccc3N12
    InChI
    InChI=1S/C22H20N3O2S2/c1-14-11-15(12-21-24(2)17-5-3-4-6-19(17)28-21)23-22-25(14)18-8-7-16(27-10-9-26)13-20(18)29-22/h3-8,11-13,26H,9-10H2,1-2H3/q+1
    MOLECULAR FORMULA
    C22H20N3O2S2+
    CROSS REFERENCES
    661047 logo

    canSAR661047

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.10
    AlogP 4.32
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR661047.