1129667 logo
canSAR1129667
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)CC1CCC(c2ccc(-c3nc4cc(NC(=S)Nc5ccccc5)ccc4[nH]3)cc2)CC1
    InChI
    InChI=1S/C28H28N4O2S/c33-26(34)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27-31-24-15-14-23(17-25(24)32-27)30-28(35)29-22-4-2-1-3-5-22/h1-5,10-15,17-19H,6-9,16H2,(H,31,32)(H,33,34)(H2,29,30,35)
    MOLECULAR FORMULA
    C28H28N4O2S
    CROSS REFERENCES
    1129667 logo

    canSAR1129667

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.19
    AlogP 6.79
    HBond donors 4
    HBond acceptors 6
    Atoms 63
    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 canSAR1129667.