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canSAR464449
FEATURES
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NAMES
    SMILES
    C[C@H](Nc1cc(OCC2CCCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1
    InChI
    InChI=1S/C27H31BrClN3O/c1-19(32-26-16-27(31-18-30-26)33-17-21-6-3-2-4-7-21)25(22-8-5-9-23(28)15-22)14-20-10-12-24(29)13-11-20/h5,8-13,15-16,18-19,21,25H,2-4,6-7,14,17H2,1H3,(H,30,31,32)/t19-,25+/m0/s1
    MOLECULAR FORMULA
    C27H31BrClN3O
    CROSS REFERENCES
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    canSAR464449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.13
    AlogP 7.68
    HBond donors 1
    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 canSAR464449.