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canSAR668588
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NAMES
    SMILES
    COc1ccccc1C1C2=C(N=c3s/c(=C\c4ccc(OCC(=O)O)cc4)c(=O)n31)c1ccccc1CC2
    InChI
    InChI=1S/C30H24N2O5S/c1-36-24-9-5-4-8-22(24)28-23-15-12-19-6-2-3-7-21(19)27(23)31-30-32(28)29(35)25(38-30)16-18-10-13-20(14-11-18)37-17-26(33)34/h2-11,13-14,16,28H,12,15,17H2,1H3,(H,33,34)/b25-16-
    MOLECULAR FORMULA
    C30H24N2O5S
    CROSS REFERENCES
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    canSAR668588

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.14
    AlogP 3.79
    HBond donors 1
    HBond acceptors 7
    Atoms 62
    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 canSAR668588.