1126666 logo
canSAR1126666
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1c(-c2ccc3c(c2)CCC3(C)CNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
    InChI
    InChI=1S/C27H33N3O5S/c1-26(2,3)22-15-19(30-12-10-23(31)29-25(30)32)14-20(24(22)35-5)17-7-8-21-18(13-17)9-11-27(21,4)16-28-36(6,33)34/h7-8,10,12-15,28H,9,11,16H2,1-6H3,(H,29,31,32)
    MOLECULAR FORMULA
    C27H33N3O5S
    CROSS REFERENCES
    1126666 logo

    canSAR1126666

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.21
    AlogP 3.25
    HBond donors 2
    HBond acceptors 8
    Atoms 69
    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 canSAR1126666.