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canSAR462705
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NAMES
    SMILES
    Nc1ccn(C/C=C\COCP(=O)(O)OP(=O)(O)OP(=O)(O)O)c(=O)n1
    InChI
    InChI=1S/C9H16N3O11P3/c10-8-3-5-12(9(13)11-8)4-1-2-6-21-7-24(14,15)22-26(19,20)23-25(16,17)18/h1-3,5H,4,6-7H2,(H,14,15)(H,19,20)(H2,10,11,13)(H2,16,17,18)/b2-1-
    MOLECULAR FORMULA
    C9H16N3O11P3
    CROSS REFERENCES
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    canSAR462705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.00
    AlogP -0.23
    HBond donors 6
    HBond acceptors 14
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR462705.