canSAR824392
FEATURES
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NAMES
    SMILES
    CC1(C)CC[C@]2(C(=O)OCc3c(-c4ccccc4)no[n+]3[O-])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/C39H54N2O5/c1-34(2)19-21-39(33(43)45-24-28-32(40-46-41(28)44)25-11-9-8-10-12-25)22-20-37(6)26(27(39)23-34)13-14-30-36(5)17-16-31(42)35(3,4)29(36)15-18-38(30,37)7/h8-13,27,29-31,42H,14-24H2,1-7H3/t27-,29-,30+,31-,36-,37+,38+,39-/m0/s1
    MOLECULAR FORMULA
    C39H54N2O5
    CROSS REFERENCES
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    canSAR824392
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight630.40
    AlogP8.18
    HBond donors1
    HBond acceptors7
    Atoms100
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824392.