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canSAR558122
FEATURES
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NAMES
    SMILES
    CCCc1ccc(Oc2cccc(CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-])c2)cc1.[K+].[K+].[K+]
    InChI
    InChI=1S/C19H25O7PS.3K/c1-2-5-15-10-12-17(13-11-15)26-18-8-3-6-16(14-18)7-4-9-19(27(20,21)22)28(23,24)25;;;/h3,6,8,10-14,19H,2,4-5,7,9H2,1H3,(H2,20,21,22)(H,23,24,25);;;/q;3*+1/p-3
    MOLECULAR FORMULA
    C19H22K3O7PS
    CROSS REFERENCES
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    canSAR558122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.97
    AlogP -6.45
    HBond donors 0
    HBond acceptors 7
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR558122.