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canSAR1715354
FEATURES
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NAMES
    SMILES
    CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
    InChI
    InChI=1S/C21H29N3O6S/c1-2-19(17-5-3-6-18(13-17)30-14-16-7-8-16)23-31(27,28)12-4-11-29-15-24-10-9-20(25)22-21(24)26/h3,5-6,9-10,13,16,19,23H,2,4,7-8,11-12,14-15H2,1H3,(H,22,25,26)/t19-/m1/s1
    MOLECULAR FORMULA
    C21H29N3O6S
    CROSS REFERENCES
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    canSAR1715354

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.18
    AlogP 1.76
    HBond donors 2
    HBond acceptors 9
    Atoms 60
    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 canSAR1715354.