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canSAR673482
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NAMES
    SMILES
    O=C(O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)C(c3ccco3)C3=C(N=4)c4ccccc4CC3)o2)c1
    InChI
    InChI=1S/C30H20N2O5S/c33-28-25(16-20-11-13-23(37-20)18-6-3-7-19(15-18)29(34)35)38-30-31-26-21-8-2-1-5-17(21)10-12-22(26)27(32(28)30)24-9-4-14-36-24/h1-9,11,13-16,27H,10,12H2,(H,34,35)/b25-16-
    MOLECULAR FORMULA
    C30H20N2O5S
    CROSS REFERENCES
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    canSAR673482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.11
    AlogP 4.87
    HBond donors 1
    HBond acceptors 7
    Atoms 58
    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 canSAR673482.