545245 logo
canSAR545245
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(CC(CC(=O)NCCCCCCCNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12)NCCCCCCCNc1c2ccccc2nc2ccccc12
    InChI
    InChI=1S/C58H62N8O2/c67-54(59-35-19-3-1-5-21-37-61-56-42-23-7-13-29-48(42)64-49-30-14-8-24-43(49)56)39-41(63-58-46-27-11-17-33-52(46)66-53-34-18-12-28-47(53)58)40-55(68)60-36-20-4-2-6-22-38-62-57-44-25-9-15-31-50(44)65-51-32-16-10-26-45(51)57/h7-18,23-34,41H,1-6,19-22,35-40H2,(H,59,67)(H,60,68)(H,61,64)(H,62,65)(H,63,66)
    MOLECULAR FORMULA
    C58H62N8O2
    CROSS REFERENCES
    545245 logo

    canSAR545245

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 902.50
    AlogP 12.71
    HBond donors 5
    HBond acceptors 10
    Atoms 130
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545245.