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canSAR2048986
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NAMES
    SMILES
    COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1cc3ccccc3cn1)CC2
    InChI
    InChI=1S/C28H28ClN5O3/c1-17(2)25(18-8-10-21(29)11-9-18)32-28-31-23-12-13-33(16-22(23)26(35)34(28)37-3)27(36)24-14-19-6-4-5-7-20(19)15-30-24/h4-11,14-15,17,25H,12-13,16H2,1-3H3,(H,31,32)/t25-/m0/s1
    MOLECULAR FORMULA
    C28H28ClN5O3
    CROSS REFERENCES
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    canSAR2048986

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.19
    AlogP 4.51
    HBond donors 1
    HBond acceptors 8
    Atoms 65
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2048986.