canSAR2059390
FEATURES
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NAMES
    SMILES
    CC1(C)CC[C@]2(C(=O)NCCCOCCOCCOCCCNC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C70H116N2O7/c1-59(2)29-33-69(35-31-65(11)47(49(69)45-59)17-19-53-63(9)25-23-55(73)61(5,6)51(63)21-27-67(53,65)13)57(75)71-37-15-39-77-41-43-79-44-42-78-40-16-38-72-58(76)70-34-30-60(3,4)46-50(70)48-18-20-54-64(10)26-24-56(74)62(7,8)52(64)22-28-68(54,14)66(48,12)32-36-70/h17-18,49-56,73-74H,15-16,19-46H2,1-14H3,(H,71,75)(H,72,76)/t49-,50-,51-,52-,53+,54+,55-,56-,63-,64-,65+,66+,67+,68+,69-,70-/m0/s1
    MOLECULAR FORMULA
    C70H116N2O7
    CROSS REFERENCES
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    canSAR2059390
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1096.88
    AlogP14.37
    HBond donors4
    HBond acceptors9
    Atoms195
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059390.