650912 logo
canSAR650912
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccc(I)cc3)c3cc(Cl)ccc3n2)CC1
    InChI
    InChI=1S/C21H24ClIN6O2S/c1-28-9-11-29(12-10-28)21-25-19-7-2-15(22)14-18(19)20(26-21)24-8-13-32(30,31)27-17-5-3-16(23)4-6-17/h2-7,14,27H,8-13H2,1H3,(H,24,25,26)
    MOLECULAR FORMULA
    C21H24ClIN6O2S
    CROSS REFERENCES
    650912 logo

    canSAR650912

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.04
    AlogP 3.49
    HBond donors 2
    HBond acceptors 8
    Atoms 56
    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 canSAR650912.