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canSAR1522188
FEATURES
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NAMES
    SMILES
    C#C/C=C\CCCC/C=C\C#CC#CCCCC#CC#C[C@H](COS(=O)(=O)[O-])OS(=O)(=O)O.[Na+]
    InChI
    InChI=1S/C23H24O8S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(31-33(27,28)29)22-30-32(24,25)26;/h1,3-4,9-10,23H,5-8,15-17,22H2,(H,24,25,26)(H,27,28,29);/q;+1/p-1/b4-3-,10-9-;/t23-;/m1./s1
    MOLECULAR FORMULA
    C23H23NaO8S2
    CROSS REFERENCES
    1522188 logo

    canSAR1522188

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.07
    AlogP -0.85
    HBond donors 1
    HBond acceptors 8
    Atoms 57
    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 canSAR1522188.