465009 logo
canSAR465009
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=S(=O)(c1ccc(NC(Cc2ccco2)n2nc(-c3ccccc3)oc2=S)cc1)c1ccc(NC(Cc2ccco2)n2nc(-c3ccccc3)oc2=S)cc1
    InChI
    InChI=1S/C40H32N6O6S3/c47-55(48,33-19-15-29(16-20-33)41-35(25-31-13-7-23-49-31)45-39(53)51-37(43-45)27-9-3-1-4-10-27)34-21-17-30(18-22-34)42-36(26-32-14-8-24-50-32)46-40(54)52-38(44-46)28-11-5-2-6-12-28/h1-24,35-36,41-42H,25-26H2
    MOLECULAR FORMULA
    C40H32N6O6S3
    CROSS REFERENCES
    465009 logo

    canSAR465009

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 788.15
    AlogP 9.78
    HBond donors 2
    HBond acceptors 12
    Atoms 87
    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 canSAR465009.