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canSAR1132397
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NAMES
    SMILES
    [N-]=[N+]=NCCCCCCNc1nc2c(s1)CSc1ccccc1-2
    InChI
    InChI=1S/C16H19N5S2/c17-21-19-10-6-2-1-5-9-18-16-20-15-12-7-3-4-8-13(12)22-11-14(15)23-16/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,20)
    MOLECULAR FORMULA
    C16H19N5S2
    CROSS REFERENCES
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    canSAR1132397

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 345.11
    AlogP 5.70
    HBond donors 1
    HBond acceptors 5
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1132397.