1118999 logo
canSAR1118999
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1CCN(C(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)CC1
    InChI
    InChI=1S/C22H21Cl2N3OS/c1-26-10-12-27(13-11-26)22(28)19-18(14-2-6-16(23)7-3-14)20(29-21(19)25)15-4-8-17(24)9-5-15/h2-9H,10-13,25H2,1H3
    MOLECULAR FORMULA
    C22H21Cl2N3OS
    CROSS REFERENCES
    1118999 logo

    canSAR1118999

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.08
    AlogP 5.36
    HBond donors 2
    HBond acceptors 4
    Atoms 50
    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 canSAR1118999.