canSAR546268
FEATURES
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NAMES
    SMILES
    C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN/C(=N\C)NC)n(C)c4)n(C)c3)n(C)c2)n(C)c1.Cl
    InChI
    InChI=1S/C32H39BrN12O5.ClH/c1-18(33)27(46)38-19-11-24(43(5)14-19)29(48)40-21-13-26(45(7)16-21)31(50)41-22-12-25(44(6)17-22)30(49)39-20-10-23(42(4)15-20)28(47)36-8-9-37-32(34-2)35-3;/h10-17H,1,8-9H2,2-7H3,(H,36,47)(H,38,46)(H,39,49)(H,40,48)(H,41,50)(H2,34,35,37);1H
    MOLECULAR FORMULA
    C32H40BrClN12O5
    CROSS REFERENCES
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    canSAR546268
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight786.21
    AlogP2.59
    HBond donors7
    HBond acceptors17
    Atoms91
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546268.