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canSAR1715758
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NAMES
    SMILES
    CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@]21C
    InChI
    InChI=1S/C25H25N3O5/c1-5-26-21(29)18-19(22(26)30)25(3)23(31)27(16-10-12-17(33-4)13-11-16)24(32)28(25)20(18)15-8-6-14(2)7-9-15/h6-13,18-20H,5H2,1-4H3/t18-,19-,20-,25-/m1/s1
    MOLECULAR FORMULA
    C25H25N3O5
    CROSS REFERENCES
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    canSAR1715758

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.18
    AlogP 2.91
    HBond donors 0
    HBond acceptors 8
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1715758.