canSAR856847
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCC(=O)N[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.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C28H46N4O12.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-16(33)30-18(26(39)40)23(44-27-22(38)19(35)15(14-29)42-27)24-20(36)21(37)25(43-24)32-13-12-17(34)31-28(32)41;3-2(4,5)1(6)7/h12-13,15,18-25,27,35-38H,2-11,14,29H2,1H3,(H,30,33)(H,39,40)(H,31,34,41);(H,6,7)/t15-,18+,19-,20+,21-,22-,23+,24+,25-,27+;/m1./s1
    MOLECULAR FORMULA
    C30H47F3N4O14
    CROSS REFERENCES
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    canSAR856847
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight744.30
    AlogP-0.93
    HBond donors10
    HBond acceptors18
    Atoms98
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856847.