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canSAR1129281
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NAMES
    SMILES
    O=C(NC(=S)Nc1ccc(Br)cc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
    InChI
    InChI=1S/C30H21BrN4O2S/c31-22-16-18-23(19-17-22)32-30(38)33-29(37)26-25(28(36)21-12-6-2-7-13-21)27(20-10-4-1-5-11-20)35(34-26)24-14-8-3-9-15-24/h1-19H,(H2,32,33,37,38)
    MOLECULAR FORMULA
    C30H21BrN4O2S
    CROSS REFERENCES
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    canSAR1129281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 580.06
    AlogP 6.66
    HBond donors 2
    HBond acceptors 6
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1129281.