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canSAR832188
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NAMES
    SMILES
    O=C(CCc1ccc(-c2ccc(Cl)c(F)c2)cc1)N1CCC[C@H]1c1ncc(-c2ccccc2)[nH]1
    InChI
    InChI=1S/C28H25ClFN3O/c29-23-14-13-22(17-24(23)30)20-11-8-19(9-12-20)10-15-27(34)33-16-4-7-26(33)28-31-18-25(32-28)21-5-2-1-3-6-21/h1-3,5-6,8-9,11-14,17-18,26H,4,7,10,15-16H2,(H,31,32)/t26-/m0/s1
    MOLECULAR FORMULA
    C28H25ClFN3O
    CROSS REFERENCES
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    canSAR832188

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.17
    AlogP 6.83
    HBond donors 1
    HBond acceptors 4
    Atoms 59
    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 canSAR832188.