1691082 logo
canSAR1691082
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1nc(-c2ccccc2)cs1.[Cl-]
    InChI
    InChI=1S/C23H20N4OS.ClH/c28-21(25-23-24-19(16-29-23)17-8-3-1-4-9-17)15-26-14-20(18-10-5-2-6-11-18)27-13-7-12-22(26)27;/h1-6,8-11,14,16H,7,12-13,15H2;1H
    MOLECULAR FORMULA
    C23H21ClN4OS
    CROSS REFERENCES
    1691082 logo

    canSAR1691082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.11
    AlogP 1.16
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1691082.