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canSAR1691000
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(C(=O)O)c2)Oc2ncc(Br)cc2C1=O
    InChI
    InChI=1S/C23H28BrN3O5/c1-14-10-27(15(2)13-28)22(29)19-8-18(24)9-25-21(19)32-20(14)12-26(3)11-16-5-4-6-17(7-16)23(30)31/h4-9,14-15,20,28H,10-13H2,1-3H3,(H,30,31)/t14-,15+,20+/m1/s1
    MOLECULAR FORMULA
    C23H28BrN3O5
    CROSS REFERENCES
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    canSAR1691000

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.12
    AlogP 2.89
    HBond donors 2
    HBond acceptors 8
    Atoms 60
    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 canSAR1691000.