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canSAR1091730
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NAMES
    SMILES
    COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc(N)cc4)N3[C@@H](C#N)[C@H](C2)N1C
    InChI
    InChI=1S/C35H39N5O5/c1-39-26-12-22-15-31(43-3)33(45-5)17-25(22)35(39)27-13-21-14-30(42-2)32(44-4)16-24(21)29(40(27)28(26)18-36)19-38-34(41)11-8-20-6-9-23(37)10-7-20/h6-11,14-17,26-29,35H,12-13,19,37H2,1-5H3,(H,38,41)/b11-8+/t26-,27-,28-,29-,35+/m0/s1
    MOLECULAR FORMULA
    C35H39N5O5
    CROSS REFERENCES
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    canSAR1091730

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 609.30
    AlogP 3.90
    HBond donors 3
    HBond acceptors 10
    Atoms 84
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1091730.