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canSAR549384
FEATURES
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NAMES
    SMILES
    N=C(N)c1ccc(C2=NO[C@@H](CC(=O)NC[C@H](NS(=O)(=O)c3ccccc3Br)C(=O)O)C2)cc1
    InChI
    InChI=1S/C21H22BrN5O6S/c22-15-3-1-2-4-18(15)34(31,32)27-17(21(29)30)11-25-19(28)10-14-9-16(26-33-14)12-5-7-13(8-6-12)20(23)24/h1-8,14,17,27H,9-11H2,(H3,23,24)(H,25,28)(H,29,30)/t14-,17+/m1/s1
    MOLECULAR FORMULA
    C21H22BrN5O6S
    CROSS REFERENCES
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    canSAR549384

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.05
    AlogP 1.16
    HBond donors 6
    HBond acceptors 11
    Atoms 56
    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 canSAR549384.