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canSAR55291
FEATURES
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NAMES
    SMILES
    NC(=O)CNC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1
    InChI
    InChI=1S/C29H34Br2ClN5O3/c30-21-12-20-2-1-19-13-22(32)14-23(31)26(19)27(28(20)34-15-21)18-5-9-36(10-6-18)25(39)11-17-3-7-37(8-4-17)29(40)35-16-24(33)38/h12-15,17-18,27H,1-11,16H2,(H2,33,38)(H,35,40)/t27-/m1/s1
    MOLECULAR FORMULA
    C29H34Br2ClN5O3
    CROSS REFERENCES
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    canSAR55291

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 693.07
    AlogP 5.03
    HBond donors 3
    HBond acceptors 8
    Atoms 74
    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 canSAR55291.