canSAR637154
FEATURES
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NAMES
    SMILES
    CC(C)(C)C1CC[C@H]2c3c([nH]c4ccc(Br)cc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2C1
    InChI
    InChI=1S/C28H29BrN2O2/c1-28(2,3)15-9-11-18-19(13-15)23-24(25-22(18)20-14-16(29)10-12-21(20)30-25)27(33)31(26(23)32)17-7-5-4-6-8-17/h4-8,10,12,14-15,18-19,23-24,30H,9,11,13H2,1-3H3/t15?,18-,19+,23+,24+/m1/s1
    MOLECULAR FORMULA
    C28H29BrN2O2
    CROSS REFERENCES
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    canSAR637154
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight504.14
    AlogP6.76
    HBond donors1
    HBond acceptors4
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR637154.