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canSAR2020152
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O
    InChI
    InChI=1S/C28H37N5O6S/c1-21-17-32(22(2)19-34)28(35)10-7-15-33-23(16-29-30-33)20-38-27(21)18-31(3)40(36,37)26-13-11-25(12-14-26)39-24-8-5-4-6-9-24/h4-6,8-9,11-14,16,21-22,27,34H,7,10,15,17-20H2,1-3H3/t21-,22+,27+/m1/s1
    MOLECULAR FORMULA
    C28H37N5O6S
    CROSS REFERENCES
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    canSAR2020152

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.25
    AlogP 2.92
    HBond donors 1
    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 canSAR2020152.