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canSAR552968
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NAMES
    SMILES
    CN(C(=O)C[C@@H](N)c1csc(CCN)n1)C1CN=C(NC(N)=O)NC1=O
    InChI
    InChI=1S/C14H22N8O3S/c1-22(9-5-18-14(20-12(9)24)21-13(17)25)11(23)4-7(16)8-6-26-10(19-8)2-3-15/h6-7,9H,2-5,15-16H2,1H3,(H4,17,18,20,21,24,25)/t7-,9?/m1/s1
    MOLECULAR FORMULA
    C14H22N8O3S
    CROSS REFERENCES
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    canSAR552968

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.15
    AlogP -1.98
    HBond donors 8
    HBond acceptors 11
    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 canSAR552968.