1497445 logo
canSAR1497445
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2C)c1
    InChI
    InChI=1S/C25H26N6O4S/c1-15-11-17(16(2)30(15)18-5-4-6-19(13-18)34-3)12-20-23(26)31-25(27-24(20)33)36-21(28-31)14-22(32)29-7-9-35-10-8-29/h4-6,11-13,26H,7-10,14H2,1-3H3/b20-12+,26-23?
    MOLECULAR FORMULA
    C25H26N6O4S
    CROSS REFERENCES
    1497445 logo

    canSAR1497445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.17
    AlogP 2.97
    HBond donors 1
    HBond acceptors 10
    Atoms 62
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1497445.