1268852 logo
canSAR1268852
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1NC(=O)N(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
    InChI
    InChI=1S/C35H38N4O6S/c40-32-30(17-22-4-6-28(7-5-22)45-46(43,44)31-3-1-2-26-21-36-11-8-29(26)31)39(34(42)37-32)27-9-12-38(13-10-27)33(41)35-18-23-14-24(19-35)16-25(15-23)20-35/h1-8,11,21,23-25,27,30H,9-10,12-20H2,(H,37,40,42)
    MOLECULAR FORMULA
    C35H38N4O6S
    CROSS REFERENCES
    1268852 logo

    canSAR1268852

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.25
    AlogP 4.67
    HBond donors 1
    HBond acceptors 10
    Atoms 84
    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 canSAR1268852.