canSAR819827
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](OCC#Cc2cnc3ccccc3c2)[C@H](C)[C@@H](O[C@@H]2OCC[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OCc2ccccc2Cl)[C@H](C)[C@H]2OC(=O)O[C@]12C
    InChI
    InChI=1S/C49H64ClN3O11/c1-11-39-49(7)44(63-47(56)64-49)30(3)40(52-60-28-35-19-12-14-20-36(35)50)29(2)26-48(6,57-10)43(62-46-41(54)38(53(8)9)22-24-59-46)31(4)42(32(5)45(55)61-39)58-23-16-17-33-25-34-18-13-15-21-37(34)51-27-33/h12-15,18-21,25,27,29-32,38-39,41-44,46,54H,11,22-24,26,28H2,1-10H3/b52-40+/t29-,30+,31+,32-,38+,39-,41-,42+,43-,44-,46+,48-,49-/m1/s1
    MOLECULAR FORMULA
    C49H64ClN3O11
    CROSS REFERENCES
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    canSAR819827
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight905.42
    AlogP7.59
    HBond donors1
    HBond acceptors14
    Atoms128
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819827.