1128239 logo
canSAR1128239
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NS(=O)(=O)N(C)C)cc1
    InChI
    InChI=1S/C34H36N4O5S/c1-5-43-33(39)34(28-14-10-7-11-15-28)31(26-16-20-29(21-17-26)36-44(40,41)37(2)3)38(24-25-12-8-6-9-13-25)32(35-34)27-18-22-30(42-4)23-19-27/h6-23,31,36H,5,24H2,1-4H3/t31-,34-/m1/s1
    MOLECULAR FORMULA
    C34H36N4O5S
    CROSS REFERENCES
    1128239 logo

    canSAR1128239

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.24
    AlogP 5.38
    HBond donors 1
    HBond acceptors 9
    Atoms 80
    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 canSAR1128239.