canSAR1746948
FEATURES
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NAMES
    SMILES
    Cc1ccc(COc2cc(Cl)c3nc([C@@H]4[C@H](C(=O)O)C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1
    InChI
    InChI=1S/C27H25BrClN3O3/c1-15-4-9-18(30-12-15)14-35-19-10-20(29)24-21(11-19)32(13-16-5-7-17(28)8-6-16)25(31-24)22-23(26(33)34)27(22,2)3/h4-12,22-23H,13-14H2,1-3H3,(H,33,34)/t22-,23+/m0/s1
    MOLECULAR FORMULA
    C27H25BrClN3O3
    CROSS REFERENCES
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    canSAR1746948
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight553.08
    AlogP6.61
    HBond donors1
    HBond acceptors6
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746948.