1111133 logo
canSAR1111133
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(C(=O)/C=C/c2ccc(Oc3nc(Oc4ccc(/C=C/C(=O)c5ccc(OC)cc5)cc4)nc(Oc4ccc(/C=C/C(=O)c5ccc(OC)cc5)cc4)n3)cc2)cc1
    InChI
    InChI=1S/C51H39N3O9/c1-58-40-25-13-37(14-26-40)46(55)31-10-34-4-19-43(20-5-34)61-49-52-50(62-44-21-6-35(7-22-44)11-32-47(56)38-15-27-41(59-2)28-16-38)54-51(53-49)63-45-23-8-36(9-24-45)12-33-48(57)39-17-29-42(60-3)30-18-39/h4-33H,1-3H3/b31-10+,32-11+,33-12+
    MOLECULAR FORMULA
    C51H39N3O9
    CROSS REFERENCES
    1111133 logo

    canSAR1111133

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 837.27
    AlogP 10.96
    HBond donors 0
    HBond acceptors 12
    Atoms 102
    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 canSAR1111133.