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canSAR547454
FEATURES
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NAMES
    SMILES
    C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)n1.Cl
    InChI
    InChI=1S/C29H33BrN12O5.ClH/c1-15(30)25(43)37-24-11-22(42(5)38-24)29(47)36-18-10-21(41(4)14-18)28(46)35-17-9-20(40(3)13-17)27(45)34-16-8-19(39(2)12-16)26(44)33-7-6-23(31)32;/h8-14H,1,6-7H2,2-5H3,(H3,31,32)(H,33,44)(H,34,45)(H,35,46)(H,36,47)(H,37,38,43);1H
    MOLECULAR FORMULA
    C29H34BrClN12O5
    CROSS REFERENCES
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    canSAR547454

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 744.16
    AlogP 2.52
    HBond donors 8
    HBond acceptors 17
    Atoms 82
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR547454.