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canSAR1590551
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NAMES
    SMILES
    OC[C@H](O)COc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1
    InChI
    InChI=1S/C22H28N4O3/c27-14-20(28)15-29-21-5-1-3-16(9-21)12-26-8-2-4-19(13-26)24-18-6-7-22-17(10-18)11-23-25-22/h1,3,5-7,9-11,19-20,24,27-28H,2,4,8,12-15H2,(H,23,25)/t19-,20+/m1/s1
    MOLECULAR FORMULA
    C22H28N4O3
    CROSS REFERENCES
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    canSAR1590551

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.22
    AlogP 2.37
    HBond donors 4
    HBond acceptors 7
    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 canSAR1590551.