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canSAR55936
FEATURES
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NAMES
    SMILES
    N=C(N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2nc3ccccc3nc2O)NS(=O)(=O)Cc2ccccc2)C1O
    InChI
    InChI=1S/C28H35N9O7S/c29-28(30)37-14-6-11-21(27(37)42)33-22(38)15-32-24(39)20(36-45(43,44)16-17-7-2-1-3-8-17)12-13-31-25(40)23-26(41)35-19-10-5-4-9-18(19)34-23/h1-5,7-10,20-21,27,36,42H,6,11-16H2,(H3,29,30)(H,31,40)(H,32,39)(H,33,38)(H,35,41)/t20-,21+,27?/m1/s1
    MOLECULAR FORMULA
    C28H35N9O7S
    CROSS REFERENCES
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    canSAR55936

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 641.24
    AlogP -1.15
    HBond donors 9
    HBond acceptors 16
    Atoms 80
    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 canSAR55936.