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canSAR2017470
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)C(=O)NC1CCCCC1
    InChI
    InChI=1S/C24H38N4O6S/c1-16-13-28(17(2)15-29)23(30)20-12-19(26-35(4,32)33)10-11-21(20)34-22(16)14-27(3)24(31)25-18-8-6-5-7-9-18/h10-12,16-18,22,26,29H,5-9,13-15H2,1-4H3,(H,25,31)/t16-,17+,22+/m0/s1
    MOLECULAR FORMULA
    C24H38N4O6S
    CROSS REFERENCES
    2017470 logo

    canSAR2017470

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.25
    AlogP 2.25
    HBond donors 3
    HBond acceptors 10
    Atoms 73
    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 canSAR2017470.