canSAR2096423
FEATURES
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NAMES
    SMILES
    COC(=O)Nc1ccc(-c2cc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)ncn2)cc1
    InChI
    InChI=1S/C30H25ClN8O3/c1-42-30(41)35-24-11-7-21(8-12-24)25-17-26(33-18-32-25)27(15-20-5-3-2-4-6-20)36-29(40)14-9-22-16-23(31)10-13-28(22)39-19-34-37-38-39/h2-14,16-19,27H,15H2,1H3,(H,35,41)(H,36,40)/b14-9+/t27-/m0/s1
    MOLECULAR FORMULA
    C30H25ClN8O3
    CROSS REFERENCES
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    canSAR2096423
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight580.17
    AlogP5.06
    HBond donors2
    HBond acceptors11
    Atoms67
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096423.