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canSAR1986716
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1S(=O)(=O)N1CCCCC1
    InChI
    InChI=1S/C24H31N3O5S/c1-17(2)22(26-23(28)18-10-6-4-7-11-18)24(29)25-19-12-13-20(32-3)21(16-19)33(30,31)27-14-8-5-9-15-27/h4,6-7,10-13,16-17,22H,5,8-9,14-15H2,1-3H3,(H,25,29)(H,26,28)/t22-/m0/s1
    MOLECULAR FORMULA
    C24H31N3O5S
    CROSS REFERENCES
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    canSAR1986716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.20
    AlogP 3.26
    HBond donors 2
    HBond acceptors 8
    Atoms 64
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1986716.