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canSAR841077
FEATURES
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NAMES
    SMILES
    CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(N)=O)CC[C@@H]12
    InChI
    InChI=1S/C21H30N2O5S/c1-3-12-10-16-13(11-18(12)28-29(23,25)26)4-5-15-14(16)8-9-21(2)17(15)6-7-19(21)27-20(22)24/h10-11,14-15,17,19H,3-9H2,1-2H3,(H2,22,24)(H2,23,25,26)/t14-,15+,17-,19-,21-/m0/s1
    MOLECULAR FORMULA
    C21H30N2O5S
    CROSS REFERENCES
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    canSAR841077

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.19
    AlogP 3.15
    HBond donors 4
    HBond acceptors 7
    Atoms 59
    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 canSAR841077.