562115 logo
canSAR562115
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(F)c2ncc(Cl)c(C(O)CN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2c1
    InChI
    InChI=1S/C26H26ClFN4O4S/c1-36-16-9-17-24(18(27)11-29-25(17)19(28)10-16)21(33)12-32-6-4-15(5-7-32)30-26(35)14-2-3-22-20(8-14)31-23(34)13-37-22/h2-3,8-11,15,21,33H,4-7,12-13H2,1H3,(H,30,35)(H,31,34)
    MOLECULAR FORMULA
    C26H26ClFN4O4S
    CROSS REFERENCES
    562115 logo

    canSAR562115

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.13
    AlogP 4.01
    HBond donors 3
    HBond acceptors 8
    Atoms 63
    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 canSAR562115.