canSAR2080368
FEATURES
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NAMES
    SMILES
    CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCCCC(=O)NO)nn4)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
    InChI
    InChI=1S/C51H86N6O14/c1-14-39-51(10,64)44(60)33(6)55(11)26-29(2)24-49(8,63)46(31(4)43(32(5)47(62)69-39)70-41-25-50(9,66-13)45(61)34(7)68-41)71-48-42(59)38(23-30(3)67-48)56(12)27-35-18-20-36(21-19-35)37-28-57(54-52-37)22-16-15-17-40(58)53-65/h18-21,28-34,38-39,41-46,48,59-61,63-65H,14-17,22-27H2,1-13H3,(H,53,58)/t29?,30-,31+,32-,33-,34+,38+,39-,41+,42-,43+,44-,45+,46-,48?,49-,50-,51-/m1/s1
    MOLECULAR FORMULA
    C51H86N6O14
    CROSS REFERENCES
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    canSAR2080368
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1006.62
    AlogP3.41
    HBond donors7
    HBond acceptors20
    Atoms157
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080368.