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canSAR2048808
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NAMES
    SMILES
    COc1ccc2[nH]c(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)nc2c1
    InChI
    InChI=1S/C30H32N4O5/c1-30(2,3)39-29(36)34-17-25(33-28-31-23-15-14-22(37-4)16-24(23)32-28)26(18-34)38-27(35)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-16,25-26H,17-18H2,1-4H3,(H2,31,32,33)/t25-,26-/m0/s1
    MOLECULAR FORMULA
    C30H32N4O5
    CROSS REFERENCES
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    canSAR2048808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.24
    AlogP 5.50
    HBond donors 2
    HBond acceptors 9
    Atoms 71
    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 canSAR2048808.