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canSAR1127744
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccc(Oc2nc(Oc3ccc(/C=C/C(=O)c4ccccc4)cc3)nc(Oc3ccc(/C=C/C(=O)c4ccccc4)cc3)n2)cc1)c1ccccc1
    InChI
    InChI=1S/C48H33N3O6/c52-43(37-10-4-1-5-11-37)31-22-34-16-25-40(26-17-34)55-46-49-47(56-41-27-18-35(19-28-41)23-32-44(53)38-12-6-2-7-13-38)51-48(50-46)57-42-29-20-36(21-30-42)24-33-45(54)39-14-8-3-9-15-39/h1-33H/b31-22+,32-23+,33-24+
    MOLECULAR FORMULA
    C48H33N3O6
    CROSS REFERENCES
    1127744 logo

    canSAR1127744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 747.24
    AlogP 10.94
    HBond donors 0
    HBond acceptors 9
    Atoms 90
    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 canSAR1127744.