canSAR2062048
FEATURES
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NAMES
    SMILES
    COC(=O)C[C@@H]1N=C(c2ccc(-c3ccc(C#N)cc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
    InChI
    InChI=1S/C27H23N5O2S/c1-15-16(2)35-27-24(15)25(29-22(13-23(33)34-4)26-31-30-17(3)32(26)27)21-11-9-20(10-12-21)19-7-5-18(14-28)6-8-19/h5-12,22H,13H2,1-4H3/t22-/m0/s1
    MOLECULAR FORMULA
    C27H23N5O2S
    CROSS REFERENCES
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    canSAR2062048
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight481.16
    AlogP5.25
    HBond donors0
    HBond acceptors7
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062048.