canSAR856813
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCCCCCCC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl
    InChI
    InChI=1S/C49H67N3O13.ClH/c1-26-42(56)30(50)22-37(63-26)64-32-24-49(61,23-29-39(32)46(60)41-40(44(29)58)43(57)28-15-14-16-31(62-5)38(28)45(41)59)33(25-53)51-52-35(54)17-12-10-8-6-7-9-11-13-18-36(55)65-34-21-27-19-20-48(34,4)47(27,2)3;/h14-16,26-27,30,32,34,37,42,53,56,58,60-61H,6-13,17-25,50H2,1-5H3,(H,52,54);1H/b51-33+;/t26-,27+,30-,32-,34-,37-,42+,48-,49-;/m0./s1
    MOLECULAR FORMULA
    C49H68ClN3O13
    CROSS REFERENCES
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    canSAR856813
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight941.44
    AlogP5.99
    HBond donors8
    HBond acceptors16
    Atoms134
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856813.