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canSAR1013614
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NAMES
    SMILES
    CN(C)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1
    InChI
    InChI=1S/C26H25N5O2S/c1-26(2,24(32)29-25-30-27-15-34-25)22-18-7-5-6-8-21(18)33-23-19(22)13-14-20(28-23)16-9-11-17(12-10-16)31(3)4/h5-15,22H,1-4H3,(H,29,30,32)/t22-/m0/s1
    MOLECULAR FORMULA
    C26H25N5O2S
    CROSS REFERENCES
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    canSAR1013614

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.17
    AlogP 5.57
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    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 canSAR1013614.