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canSAR1433833
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NAMES
    SMILES
    O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CCCC1
    InChI
    InChI=1S/C17H22N6O2S/c24-26(25,13-3-1-2-4-13)22-12-6-5-11(9-12)17-21-20-15-10-19-16-14(23(15)17)7-8-18-16/h7-8,10-13,18,22H,1-6,9H2/t11-,12+/m1/s1
    MOLECULAR FORMULA
    C17H22N6O2S
    CROSS REFERENCES
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    canSAR1433833

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.15
    AlogP 2.10
    HBond donors 2
    HBond acceptors 8
    Atoms 48
    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 canSAR1433833.