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canSAR1686490
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NAMES
    SMILES
    COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)OCC2.Cl.Cl
    InChI
    InChI=1S/C24H29F3N2O2.2ClH/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16;;/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3;2*1H/t20-,22-,23+;;/m0../s1
    MOLECULAR FORMULA
    C24H31Cl2F3N2O2
    CROSS REFERENCES
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    canSAR1686490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.17
    AlogP 5.47
    HBond donors 2
    HBond acceptors 4
    Atoms 64
    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 canSAR1686490.