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canSAR1146312
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NAMES
    SMILES
    CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5ccc(F)cc5F)n(-c5cc(F)ccc5Br)c4C)CC3)c(F)c2)C(=O)O1
    InChI
    InChI=1S/C34H32BrF4N5O3/c1-20-22(13-32(27-6-3-23(36)14-29(27)38)44(20)33-15-24(37)4-7-28(33)35)18-41-9-11-42(12-10-41)31-8-5-25(16-30(31)39)43-19-26(47-34(43)46)17-40-21(2)45/h3-8,13-16,26H,9-12,17-19H2,1-2H3,(H,40,45)/t26-/m0/s1
    MOLECULAR FORMULA
    C34H32BrF4N5O3
    CROSS REFERENCES
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    canSAR1146312

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 713.16
    AlogP 6.56
    HBond donors 1
    HBond acceptors 8
    Atoms 79
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1146312.