canSAR823835
FEATURES
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NAMES
    SMILES
    CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O
    InChI
    InChI=1S/C27H32BrN5O2/c1-3-33-23(8-5-9-24(33)34)31-10-12-32(13-11-31)27(35)17-14-19-18-6-4-7-21-25(18)20(26(28)29-21)15-22(19)30(2)16-17/h4-9,17,19,22,29H,3,10-16H2,1-2H3/t17-,19-,22-/m1/s1
    MOLECULAR FORMULA
    C27H32BrN5O2
    CROSS REFERENCES
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    canSAR823835
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight537.17
    AlogP3.42
    HBond donors1
    HBond acceptors7
    Atoms67
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823835.