canSAR540707
FEATURES
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NAMES
    SMILES
    CC(C)c1c(S(=O)(=O)N2CCN(C)CC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]
    InChI
    InChI=1S/C31H40FN3O6S.Na/c1-21(2)29-31(42(40,41)34-17-15-33(3)16-18-34)28(22-7-5-4-6-8-22)30(23-9-11-24(32)12-10-23)35(29)14-13-25(36)19-26(37)20-27(38)39;/h4-12,21,25-26,36-37H,13-20H2,1-3H3,(H,38,39);/q;+1/p-1/t25-,26-;/m1./s1
    MOLECULAR FORMULA
    C31H39FN3NaO6S
    CROSS REFERENCES
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    canSAR540707
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight623.24
    AlogP-0.33
    HBond donors2
    HBond acceptors9
    Atoms82
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540707.