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canSAR1828527
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NAMES
    SMILES
    CN1C(=O)Cc2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3)ccc21
    InChI
    InChI=1S/C25H26N4O2/c1-29-22-9-7-17(11-19(22)13-23(29)30)16-4-2-15(3-5-16)10-21(14-26)28-25(31)24-18-6-8-20(12-18)27-24/h2-5,7,9,11,18,20-21,24,27H,6,8,10,12-13H2,1H3,(H,28,31)/t18-,20+,21-,24-/m0/s1
    MOLECULAR FORMULA
    C25H26N4O2
    CROSS REFERENCES
    1828527 logo

    canSAR1828527

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.21
    AlogP 2.56
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    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 canSAR1828527.