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canSAR562214
FEATURES
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NAMES
    SMILES
    CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.[Na+]
    InChI
    InChI=1S/C43H78O12S.Na/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2;/h11,13,17-18,36-37,40-43,46-48H,3-10,12,14-16,19-35H2,1-2H3,(H,49,50,51);/q;+1/p-1/b13-11-,18-17-;/t36-,37-,40-,41+,42-,43+;/m1./s1
    MOLECULAR FORMULA
    C43H77NaO12S
    CROSS REFERENCES
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    canSAR562214

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 840.50
    AlogP 5.11
    HBond donors 3
    HBond acceptors 12
    Atoms 134
    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 canSAR562214.