canSAR2095811
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C47H77N11O7/c1-27(2)29-14-19-47(21-20-45(6)30(37(29)47)12-13-34-44(5)17-16-35(59)43(3,4)33(44)15-18-46(34,45)7)40(64)65-26-28-24-58(57-56-28)25-36(60)54-31(10-8-22-52-41(48)49)38(61)55-32(39(62)63)11-9-23-53-42(50)51/h24,29-35,37,59H,1,8-23,25-26H2,2-7H3,(H,54,60)(H,55,61)(H,62,63)(H4,48,49,52)(H4,50,51,53)/t29-,30+,31-,32-,33-,34+,35-,37+,44-,45+,46+,47-/m0/s1
    MOLECULAR FORMULA
    C47H77N11O7
    CROSS REFERENCES
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    canSAR2095811
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight907.60
    AlogP3.92
    HBond donors12
    HBond acceptors18
    Atoms142
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095811.