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canSAR19750
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)Nc2ccc(CNc3ccc(-c4nc5cc[nH]cc-5n4)cc3)cc2)cc1Br
    InChI
    InChI=1S/C27H22BrN5O2/c1-35-25-11-6-19(14-22(25)28)27(34)31-21-7-2-17(3-8-21)15-30-20-9-4-18(5-10-20)26-32-23-12-13-29-16-24(23)33-26/h2-14,16,29-30H,15H2,1H3,(H,31,34)
    MOLECULAR FORMULA
    C27H22BrN5O2
    CROSS REFERENCES
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    canSAR19750

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.10
    AlogP 6.21
    HBond donors 3
    HBond acceptors 7
    Atoms 57
    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 canSAR19750.