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canSAR183514
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NAMES
    SMILES
    O=C(Nc1cccc(Br)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
    InChI
    InChI=1S/C20H23BrN4O/c21-16-4-1-5-17(12-16)23-20(26)24-19-15-6-9-25(10-7-15)18(19)11-14-3-2-8-22-13-14/h1-5,8,12-13,15,18-19H,6-7,9-11H2,(H2,23,24,26)/t18-,19-/m1/s1
    MOLECULAR FORMULA
    C20H23BrN4O
    CROSS REFERENCES
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    canSAR183514

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.11
    AlogP 3.67
    HBond donors 2
    HBond acceptors 5
    Atoms 49
    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 canSAR183514.