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canSAR1023114
FEATURES
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NAMES
    SMILES
    CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccc(C#N)cc2)cn1
    InChI
    InChI=1S/C26H28N2O3/c1-4-22-16(2)13-26(30)24(17(3)31-25(26)29)23(22)12-11-21-10-9-20(15-28-21)19-7-5-18(14-27)6-8-19/h5-12,15-17,22-24,30H,4,13H2,1-3H3/b12-11+/t16-,17+,22+,23-,24-,26-/m0/s1
    MOLECULAR FORMULA
    C26H28N2O3
    CROSS REFERENCES
    1023114 logo

    canSAR1023114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.21
    AlogP 4.61
    HBond donors 1
    HBond acceptors 5
    Atoms 59
    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 canSAR1023114.