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canSAR670901
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NAMES
    SMILES
    c1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccns2)c1
    InChI
    InChI=1S/C20H17N5O3S/c1-2-4-16(21-12-14-7-8-22-29-14)15(3-1)19-24-25-20(28-19)23-13-5-6-17-18(11-13)27-10-9-26-17/h1-8,11,21H,9-10,12H2,(H,23,25)
    MOLECULAR FORMULA
    C20H17N5O3S
    CROSS REFERENCES
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    canSAR670901

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.11
    AlogP 4.32
    HBond donors 2
    HBond acceptors 8
    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 canSAR670901.