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canSAR1617388
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NAMES
    SMILES
    COc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)ccc1O.O=C(O)C(=O)O
    InChI
    InChI=1S/C19H28N2O3.C2H2O4/c1-24-18-12-14(6-7-17(18)22)13-21-10-8-15(9-11-21)19(23)20-16-4-2-3-5-16;3-1(4)2(5)6/h6-7,12,15-16,22H,2-5,8-11,13H2,1H3,(H,20,23);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C21H30N2O7
    CROSS REFERENCES
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    canSAR1617388

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.21
    AlogP 1.83
    HBond donors 4
    HBond acceptors 9
    Atoms 60
    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 canSAR1617388.