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canSAR144469
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NAMES
    SMILES
    Nc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4nc5ccccc5[nH]4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1
    InChI
    InChI=1S/C40H38N6O4/c41-30-17-10-18-31(24-30)46-35(23-27-13-5-2-6-14-27)37(48)36(47)34(22-26-11-3-1-4-12-26)45(40(46)50)25-28-15-9-16-29(21-28)38(49)44-39-42-32-19-7-8-20-33(32)43-39/h1-21,24,34-37,47-48H,22-23,25,41H2,(H2,42,43,44,49)/t34-,35-,36+,37+/m1/s1
    MOLECULAR FORMULA
    C40H38N6O4
    CROSS REFERENCES
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    canSAR144469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 666.30
    AlogP 5.78
    HBond donors 6
    HBond acceptors 10
    Atoms 88
    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 canSAR144469.