canSAR1084045
FEATURES
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NAMES
    SMILES
    COc1c(Br)cc(C)cc1-n1nncc1COc1cc(C)c2c(c1C)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC2
    InChI
    InChI=1S/C26H28BrN3O4/c1-13-8-20(27)25(32-5)21(9-13)30-17(11-28-29-30)12-33-22-10-14(2)18-6-7-19-15(3)26(31)34-24(19)23(18)16(22)4/h8-11,15,19,24H,6-7,12H2,1-5H3/t15-,19-,24+/m0/s1
    MOLECULAR FORMULA
    C26H28BrN3O4
    CROSS REFERENCES
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    canSAR1084045
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight525.13
    AlogP5.34
    HBond donors0
    HBond acceptors7
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084045.