canSAR2100149
FEATURES
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NAMES
    SMILES
    COc1ccc2c3c1O[C@@H]1[C@]4(OC)CC[C@]5(C[C@H]4COCC(=N)O)[C@H](C2)N(CC2CC2)CC[C@@]315
    InChI
    InChI=1S/C27H36N2O5/c1-31-19-6-5-17-11-20-25-7-8-27(32-2,18(12-25)14-33-15-21(28)30)24-26(25,22(17)23(19)34-24)9-10-29(20)13-16-3-4-16/h5-6,16,18,20,24H,3-4,7-15H2,1-2H3,(H2,28,30)/t18-,20-,24-,25-,26+,27-/m0/s1
    MOLECULAR FORMULA
    C27H36N2O5
    CROSS REFERENCES
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    canSAR2100149
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight468.26
    AlogP3.47
    HBond donors2
    HBond acceptors7
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100149.