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canSAR1635046
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)cc3)CC2)cc1
    InChI
    InChI=1S/C22H25BrN4O4/c1-31-19-8-2-16(3-9-19)22(30)27-14-12-26(13-15-27)11-10-24-20(28)21(29)25-18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3,(H,24,28)(H,25,29)
    MOLECULAR FORMULA
    C22H25BrN4O4
    CROSS REFERENCES
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    canSAR1635046

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.11
    AlogP 1.97
    HBond donors 2
    HBond acceptors 8
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1635046.