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canSAR1214321
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCC[C@H](N)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/C36H64N6O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(38)32(48)40-19-15-18-39-25(34(49)50)30(54-35-29(47)26(44)23(21-37)52-35)31-27(45)28(46)33(53-31)42-20-17-24(43)41-36(42)51/h17,20,22-23,25-31,33,35,39,44-47H,2-16,18-19,21,37-38H2,1H3,(H,40,48)(H,49,50)(H,41,43,51)/t22-,23+,25-,26+,27-,28+,29+,30-,31-,33+,35-/m0/s1
    MOLECULAR FORMULA
    C36H64N6O12
    CROSS REFERENCES
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    canSAR1214321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 772.46
    AlogP -0.70
    HBond donors 12
    HBond acceptors 18
    Atoms 118
    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 canSAR1214321.