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canSAR1145581
FEATURES
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NAMES
    SMILES
    C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2ncc(Br)s2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1
    InChI
    InChI=1S/C31H32BrN5O6S2/c1-19(21-12-8-5-9-13-21)34-28(39)22-15-23(17-24(16-22)37(2)45(3,42)43)29(40)35-25(14-20-10-6-4-7-11-20)27(38)30(41)36-31-33-18-26(32)44-31/h4-13,15-19,25,27,38H,14H2,1-3H3,(H,34,39)(H,35,40)(H,33,36,41)/t19-,25+,27-/m1/s1
    MOLECULAR FORMULA
    C31H32BrN5O6S2
    CROSS REFERENCES
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    canSAR1145581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 713.10
    AlogP 4.13
    HBond donors 4
    HBond acceptors 11
    Atoms 77
    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 canSAR1145581.