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canSAR1830605
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NAMES
    SMILES
    C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2ON=C(Br)C2C1
    InChI
    InChI=1S/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13?,14-,15?/m0/s1
    MOLECULAR FORMULA
    C18H20BrN3O4
    CROSS REFERENCES
    1830605 logo

    canSAR1830605

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.06
    AlogP 2.08
    HBond donors 1
    HBond acceptors 7
    Atoms 46
    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 canSAR1830605.