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canSAR1522826
FEATURES
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NAMES
    SMILES
    NC(=O)CC(NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C27H27BrFN5O4/c28-20-4-1-18(2-5-20)15-27(36)31-23(17-26(30)35)19-3-10-24(25(16-19)34(37)38)33-13-11-32(12-14-33)22-8-6-21(29)7-9-22/h1-10,16,23H,11-15,17H2,(H2,30,35)(H,31,36)
    MOLECULAR FORMULA
    C27H27BrFN5O4
    CROSS REFERENCES
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    canSAR1522826

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 583.12
    AlogP 4.10
    HBond donors 3
    HBond acceptors 9
    Atoms 65
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1522826.