canSAR63030
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3ccc([C@@H]4[C@@H](CC[C@H](OC(C)=O)c5ccc(F)cc5)C(=O)N4c4ccc(F)cc4)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C52H57F2NO21/c1-25(56)65-23-41-44(68-28(4)59)46(69-29(5)60)49(72-32(8)63)52(75-41)76-45-42(24-66-26(2)57)74-51(48(71-31(7)62)47(45)70-30(6)61)73-38-19-11-34(12-20-38)43-39(50(64)55(43)37-17-15-36(54)16-18-37)21-22-40(67-27(3)58)33-9-13-35(53)14-10-33/h9-20,39-49,51-52H,21-24H2,1-8H3/t39-,40+,41-,42-,43-,44-,45-,46+,47+,48-,49-,51-,52+/m1/s1
    MOLECULAR FORMULA
    C52H57F2NO21
    CROSS REFERENCES
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    canSAR63030
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1069.34
    AlogP4.75
    HBond donors0
    HBond acceptors22
    Atoms133
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR63030.