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canSAR1124170
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NAMES
    SMILES
    COc1ccc(C(=O)/C=C/c2ccc(Oc3nc(Oc4ccc(/C=C/C(=O)c5ccc(OC)c(OC)c5)cc4)nc(Oc4ccc(/C=C/C(=O)c5ccc(OC)c(OC)c5)cc4)n3)cc2)cc1OC
    InChI
    InChI=1S/C54H45N3O12/c1-61-46-28-16-37(31-49(46)64-4)43(58)25-13-34-7-19-40(20-8-34)67-52-55-53(68-41-21-9-35(10-22-41)14-26-44(59)38-17-29-47(62-2)50(32-38)65-5)57-54(56-52)69-42-23-11-36(12-24-42)15-27-45(60)39-18-30-48(63-3)51(33-39)66-6/h7-33H,1-6H3/b25-13+,26-14+,27-15+
    MOLECULAR FORMULA
    C54H45N3O12
    CROSS REFERENCES
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    canSAR1124170

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 927.30
    AlogP 10.99
    HBond donors 0
    HBond acceptors 15
    Atoms 114
    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 canSAR1124170.