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canSAR2051568
FEATURES
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NAMES
    SMILES
    COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)NCC(=O)O)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O
    InChI
    InChI=1S/C45H57BrClN13O13S/c1-72-21-20-57(25-37(63)56(19-5-3-17-49)24-36(62)55(23-35(50)61)18-4-2-16-48)38(64)26-59(54-44(70)51-22-41(67)68)39(65)27-58(52-42(69)30-8-12-32(47)13-9-30)40(66)28-60-45(71)73-43(53-60)34-15-14-33(74-34)29-6-10-31(46)11-7-29/h6-15H,2-5,16-28,48-49H2,1H3,(H2,50,61)(H,52,69)(H,67,68)(H2,51,54,70)
    MOLECULAR FORMULA
    C45H57BrClN13O13S
    CROSS REFERENCES
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    canSAR2051568

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1133.28
    AlogP 0.04
    HBond donors 10
    HBond acceptors 26
    Atoms 131
    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 canSAR2051568.