656804 logo
canSAR656804
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NC(=S)N/N=C1/C(=O)N(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2ccccc21
    InChI
    InChI=1S/C23H22ClN7OS/c24-15-5-6-16-18(13-15)26-8-7-19(16)30-11-9-29(10-12-30)14-31-20-4-2-1-3-17(20)21(22(31)32)27-28-23(25)33/h1-8,13H,9-12,14H2,(H3,25,28,33)/b27-21+
    MOLECULAR FORMULA
    C23H22ClN7OS
    CROSS REFERENCES
    656804 logo

    canSAR656804

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.13
    AlogP 2.55
    HBond donors 3
    HBond acceptors 8
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR656804.