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canSAR1205188
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCC[C@H](NC(=O)c1cccnc1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C42H67N7O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27(47-37(55)26-17-15-20-44-25-26)38(56)46-22-16-21-45-30(40(57)58)35(62-41-34(54)31(51)28(24-43)60-41)36-32(52)33(53)39(61-36)49-23-19-29(50)48-42(49)59/h15,17,19-20,23,25,27-28,30-36,39,41,45,51-54H,2-14,16,18,21-22,24,43H2,1H3,(H,46,56)(H,47,55)(H,57,58)(H,48,50,59)/t27-,28+,30-,31+,32-,33+,34+,35-,36-,39+,41-/m0/s1
    MOLECULAR FORMULA
    C42H67N7O13
    CROSS REFERENCES
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    canSAR1205188

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 877.48
    AlogP 0.17
    HBond donors 11
    HBond acceptors 20
    Atoms 129
    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 canSAR1205188.