canSAR541592
FEATURES
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NAMES
    SMILES
    COc1cc(C/C(C(=O)c2ccc(OC(F)F)cc2)=C(/C(=O)[O-])c2ccc3nsnc3c2)cc(OC)c1OC.[Na+]
    InChI
    InChI=1S/C27H22F2N2O7S.Na/c1-35-21-11-14(12-22(36-2)25(21)37-3)10-18(24(32)15-4-7-17(8-5-15)38-27(28)29)23(26(33)34)16-6-9-19-20(13-16)31-39-30-19;/h4-9,11-13,27H,10H2,1-3H3,(H,33,34);/q;+1/p-1/b23-18-;
    MOLECULAR FORMULA
    C27H21F2N2NaO7S
    CROSS REFERENCES
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    canSAR541592
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight578.09
    AlogP0.95
    HBond donors0
    HBond acceptors9
    Atoms61
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR541592.