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canSAR782035
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NAMES
    SMILES
    COc1ccc2nc(/C=C/[C@@H]3c4ccccc4C[C@H]4C(=O)OC(C)(C)[C@@H]34)ccc2c1
    InChI
    InChI=1S/C26H25NO3/c1-26(2)24-21(20-7-5-4-6-16(20)15-22(24)25(28)30-26)12-10-18-9-8-17-14-19(29-3)11-13-23(17)27-18/h4-14,21-22,24H,15H2,1-3H3/b12-10+/t21-,22-,24+/m1/s1
    MOLECULAR FORMULA
    C26H25NO3
    CROSS REFERENCES
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    canSAR782035

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.18
    AlogP 5.16
    HBond donors 0
    HBond acceptors 4
    Atoms 55
    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 canSAR782035.