canSAR2096523
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCCCCN1CCCCC1)C21CC1
    InChI
    InChI=1S/C26H34BrN3O2/c27-18-6-8-19(9-7-18)29-25(32)23-21-11-10-20(26(21)12-13-26)22(23)24(31)28-14-2-5-17-30-15-3-1-4-16-30/h6-11,20-23H,1-5,12-17H2,(H,28,31)(H,29,32)/t20-,21+,22-,23-/m1/s1
    MOLECULAR FORMULA
    C26H34BrN3O2
    CROSS REFERENCES
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    canSAR2096523
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight499.18
    AlogP4.60
    HBond donors2
    HBond acceptors5
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096523.