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canSAR228144
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NAMES
    SMILES
    COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)c4cccc(Cl)c4)N3[C@@H](C#N)[C@H](C2)N1C
    InChI
    InChI=1S/C33H35ClN4O5/c1-37-24-10-20-13-29(41-3)31(43-5)15-23(20)32(37)25-11-19-12-28(40-2)30(42-4)14-22(19)27(38(25)26(24)16-35)17-36-33(39)18-7-6-8-21(34)9-18/h6-9,12-15,24-27,32H,10-11,17H2,1-5H3,(H,36,39)/t24-,25-,26-,27-,32+/m0/s1
    MOLECULAR FORMULA
    C33H35ClN4O5
    CROSS REFERENCES
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    canSAR228144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 602.23
    AlogP 4.58
    HBond donors 1
    HBond acceptors 9
    Atoms 78
    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 canSAR228144.