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canSAR1862208
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NAMES
    SMILES
    Cc1cc(CN2CCC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O
    InChI
    InChI=1S/C25H27BrN4O4/c1-17-9-18(13-29-8-2-3-21(31)14-29)4-7-23(17)24(32)15-30-25(33)10-22(12-28-30)34-16-20-6-5-19(26)11-27-20/h4-7,9-12,21,31H,2-3,8,13-16H2,1H3/t21-/m0/s1
    MOLECULAR FORMULA
    C25H27BrN4O4
    CROSS REFERENCES
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    canSAR1862208

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.12
    AlogP 3.13
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    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 canSAR1862208.