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canSAR1991067
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NAMES
    SMILES
    C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1.Cl.O
    InChI
    InChI=1S/C21H27N3.ClH.H2O/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24;;/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3;1H;1H2/t16-,17+;;
    MOLECULAR FORMULA
    C21H30ClN3O
    CROSS REFERENCES
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    canSAR1991067

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.21
    AlogP 3.46
    HBond donors 3
    HBond acceptors 4
    Atoms 56
    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 canSAR1991067.