1129198 logo
canSAR1129198
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-c2c(C)noc21
    InChI
    InChI=1S/C22H22ClN3O2S/c1-5-24-17(27)10-16-21-19(12(3)26-28-21)22-18(11(2)13(4)29-22)20(25-16)14-6-8-15(23)9-7-14/h6-9,16H,5,10H2,1-4H3,(H,24,27)/t16-/m1/s1
    MOLECULAR FORMULA
    C22H22ClN3O2S
    CROSS REFERENCES
    1129198 logo

    canSAR1129198

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.11
    AlogP 5.40
    HBond donors 1
    HBond acceptors 5
    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 canSAR1129198.