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canSAR171810
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NAMES
    SMILES
    O=C(O)[C@H]1NCCN(C(=O)c2ccc(-c3ccccc3Br)cc2)[C@H]1C(=O)O
    InChI
    InChI=1S/C19H17BrN2O5/c20-14-4-2-1-3-13(14)11-5-7-12(8-6-11)17(23)22-10-9-21-15(18(24)25)16(22)19(26)27/h1-8,15-16,21H,9-10H2,(H,24,25)(H,26,27)/t15-,16+/m0/s1
    MOLECULAR FORMULA
    C19H17BrN2O5
    CROSS REFERENCES
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    canSAR171810

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.03
    AlogP 2.07
    HBond donors 3
    HBond acceptors 7
    Atoms 44
    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 canSAR171810.