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canSAR1831875
FEATURES
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NAMES
    SMILES
    Cc1cccc(CN2CCN(C(C)C(=O)NC(C)c3ccccc3)CC2)c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C23H31N3O.C2H2O4/c1-18-8-7-9-21(16-18)17-25-12-14-26(15-13-25)20(3)23(27)24-19(2)22-10-5-4-6-11-22;3-1(4)2(5)6/h4-11,16,19-20H,12-15,17H2,1-3H3,(H,24,27);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C25H33N3O5
    CROSS REFERENCES
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    canSAR1831875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.24
    AlogP 2.53
    HBond donors 3
    HBond acceptors 8
    Atoms 66
    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 canSAR1831875.