canSAR1084091
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21
    InChI
    InChI=1S/C36H38N2O12/c1-19(39)46-18-35(4)26-16-28(49-32(42)21-8-10-23(11-9-21)38(44)45)36(5)31(34(26,3)13-12-27(35)47-20(2)40)30(41)29-25(50-36)15-24(48-33(29)43)22-7-6-14-37-17-22/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
    MOLECULAR FORMULA
    C36H38N2O12
    CROSS REFERENCES
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    canSAR1084091
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight690.24
    AlogP4.96
    HBond donors1
    HBond acceptors14
    Atoms88
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084091.