846913 logo
canSAR846913
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(C2C(Cl)C(=O)N2c2nnc(Cn3c(C)nc4ccccc43)s2)cc1
    InChI
    InChI=1S/C21H18ClN5O2S/c1-12-23-15-5-3-4-6-16(15)26(12)11-17-24-25-21(30-17)27-19(18(22)20(27)28)13-7-9-14(29-2)10-8-13/h3-10,18-19H,11H2,1-2H3
    MOLECULAR FORMULA
    C21H18ClN5O2S
    CROSS REFERENCES
    846913 logo

    canSAR846913

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.09
    AlogP 3.95
    HBond donors 0
    HBond acceptors 7
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR846913.