canSAR1632194
FEATURES
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NAMES
    SMILES
    O=C(Cc1ccccc1)N1CCN(Cc2cccnc2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C18H21N3O.C2H2O4/c22-18(13-16-5-2-1-3-6-16)21-11-9-20(10-12-21)15-17-7-4-8-19-14-17;3-1(4)2(5)6/h1-8,14H,9-13,15H2;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C20H23N3O5
    CROSS REFERENCES
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    canSAR1632194
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight385.16
    AlogP1.12
    HBond donors2
    HBond acceptors8
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632194.