669669 logo
canSAR669669
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(C)c(C)c4)nnn3c3ccc(Cl)cc23)CC1
    InChI
    InChI=1S/C25H26ClN5O4S/c1-4-35-25(32)17-9-11-30(12-10-17)22-20-14-18(26)6-8-21(20)31-23(27-22)24(28-29-31)36(33,34)19-7-5-15(2)16(3)13-19/h5-8,13-14,17H,4,9-12H2,1-3H3
    MOLECULAR FORMULA
    C25H26ClN5O4S
    CROSS REFERENCES
    669669 logo

    canSAR669669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.14
    AlogP 4.16
    HBond donors 0
    HBond acceptors 9
    Atoms 62
    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 canSAR669669.