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canSAR1969300
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NAMES
    SMILES
    O=C(c1nnc(N[C@H](CCO)C(=O)O)o1)c1nc2ccc(-c3ccccc3)cc2s1
    InChI
    InChI=1S/C20H16N4O5S/c25-9-8-14(19(27)28)22-20-24-23-17(29-20)16(26)18-21-13-7-6-12(10-15(13)30-18)11-4-2-1-3-5-11/h1-7,10,14,25H,8-9H2,(H,22,24)(H,27,28)/t14-/m1/s1
    MOLECULAR FORMULA
    C20H16N4O5S
    CROSS REFERENCES
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    canSAR1969300

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.08
    AlogP 2.82
    HBond donors 3
    HBond acceptors 9
    Atoms 46
    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 canSAR1969300.