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canSAR1060221
FEATURES
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NAMES
    SMILES
    COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)cc1
    InChI
    InChI=1S/C23H30N4O3/c1-30-18-8-6-17(7-9-18)26-12-14-27(15-13-26)22(29)20-5-3-2-4-19(20)21(28)25-23(16-24)10-11-23/h6-9,19-20H,2-5,10-15H2,1H3,(H,25,28)/t19-,20-/m1/s1
    MOLECULAR FORMULA
    C23H30N4O3
    CROSS REFERENCES
    1060221 logo

    canSAR1060221

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.23
    AlogP 2.32
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1060221.