canSAR857595
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCC(=O)N1[C@H](C(=O)OC)[C@@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H]1CCN.Cl
    InChI
    InChI=1S/C31H52N4O9.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(37)35-23(17-19-32)43-27(24(35)30(40)42-2)28-25(38)26(39)29(44-28)34-20-18-21(36)33-31(34)41;/h18,20,23-29,38-39H,3-17,19,32H2,1-2H3,(H,33,36,41);1H/t23-,24+,25+,26-,27+,28+,29-;/m1./s1
    MOLECULAR FORMULA
    C31H53ClN4O9
    CROSS REFERENCES
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    canSAR857595
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight660.35
    AlogP2.50
    HBond donors5
    HBond acceptors13
    Atoms98
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857595.