canSAR1089825
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2
    InChI
    InChI=1S/C23H29N5O7S/c1-23(2,3)35-22(29)27-15-7-8-16(27)12-17(11-15)34-21-19(28(30)31)20(24-13-25-21)26-14-5-9-18(10-6-14)36(4,32)33/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H,24,25,26)/t15-,16-/m0/s1
    MOLECULAR FORMULA
    C23H29N5O7S
    CROSS REFERENCES
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    canSAR1089825
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight519.18
    AlogP3.84
    HBond donors1
    HBond acceptors12
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1089825.