canSAR2079995
FEATURES
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NAMES
    SMILES
    CN(CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(=O)OC(C)(C)C
    InChI
    InChI=1S/C25H32BrN3O4/c1-24(2,3)33-23(32)29(4)14-13-27-21(30)19-17-9-10-18(25(17)11-12-25)20(19)22(31)28-16-7-5-15(26)6-8-16/h5-10,17-20H,11-14H2,1-4H3,(H,27,30)(H,28,31)/t17-,18+,19-,20-/m1/s1
    MOLECULAR FORMULA
    C25H32BrN3O4
    CROSS REFERENCES
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    canSAR2079995
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight517.16
    AlogP4.20
    HBond donors2
    HBond acceptors7
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079995.