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canSAR2002890
FEATURES
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NAMES
    SMILES
    COC(=O)CCC(=O)OC1(C)C(=O)C2=CN(CCc3ccccn3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O
    InChI
    InChI=1S/C29H27BrN2O7/c1-29(39-25(34)12-11-24(33)38-3)27(35)22-17-32(15-13-19-6-4-5-14-31-19)23(16-21(22)26(30)28(29)36)18-7-9-20(37-2)10-8-18/h4-10,14,16-17H,11-13,15H2,1-3H3
    MOLECULAR FORMULA
    C29H27BrN2O7
    CROSS REFERENCES
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    canSAR2002890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.10
    AlogP 3.93
    HBond donors 0
    HBond acceptors 9
    Atoms 66
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2002890.