canSAR856529
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccc(COC[C@H]2O[C@@H](O[C@@H]3[C@@H](OCc4ccc(C(C)(C)C)cc4)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](OCc4ccc(C(C)(C)C)cc4)[C@H](OCc4ccc(C(C)(C)C)cc4)[C@H]3N)[C@H](OCc3ccc(C(C)(C)C)cc3)[C@@H]2O[C@H]2O[C@@H](CN)[C@@H](OCc3ccc(C(C)(C)C)cc3)[C@H](OCc3ccc(C(C)(C)C)cc3)[C@H]2N)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C100H144N6O13.C2HF3O2/c1-94(2,3)68-36-22-61(23-37-68)53-107-60-79-86(118-92-81(106)88(112-58-66-32-46-73(47-33-66)99(16,17)18)85(78(52-102)115-92)110-56-64-28-42-71(43-29-64)97(10,11)12)90(113-59-67-34-48-74(49-35-67)100(19,20)21)93(116-79)119-89-82(108-54-62-24-38-69(39-25-62)95(4,5)6)75(103)50-76(104)83(89)117-91-80(105)87(111-57-65-30-44-72(45-31-65)98(13,14)15)84(77(51-101)114-91)109-55-63-26-40-70(41-27-63)96(7,8)9;3-2(4,5)1(6)7/h22-49,75-93H,50-60,101-106H2,1-21H3;(H,6,7)/t75-,76+,77-,78+,79-,80-,81-,82+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93+;/m1./s1
    MOLECULAR FORMULA
    C102H145F3N6O15
    CROSS REFERENCES
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    canSAR856529
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1751.07
    AlogP16.39
    HBond donors13
    HBond acceptors21
    Atoms271
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856529.