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canSAR1122751
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](n3cc(CNC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)C[C@H]5O)nn3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C59H86N4O20/c1-29(64)74-27-39-46(83-52-50(80-35(7)70)48(78-33(5)68)45(76-31(3)66)40(82-52)28-75-30(2)65)47(77-32(4)67)49(79-34(6)69)51(81-39)63-26-36(61-62-63)25-60-53(73)59-22-21-54(8,9)23-38(59)37-15-16-42-56(12)19-18-43(71)55(10,11)41(56)17-20-57(42,13)58(37,14)24-44(59)72/h15,26,38-52,71-72H,16-25,27-28H2,1-14H3,(H,60,73)/t38-,39+,40+,41-,42+,43-,44+,45+,46+,47-,48-,49+,50+,51+,52+,56-,57+,58+,59+/m0/s1
    MOLECULAR FORMULA
    C59H86N4O20
    CROSS REFERENCES
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    canSAR1122751

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1170.58
    AlogP 4.82
    HBond donors 3
    HBond acceptors 24
    Atoms 169
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1122751.