canSAR2080571
FEATURES
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NAMES
    SMILES
    CCCOc1nccc2c(-c3cnc(-c4ccc(COP(=O)([O-])[O-])nc4)s3)n[nH]c12.[Na+].[Na+]
    InChI
    InChI=1S/C18H18N5O5PS.2Na/c1-2-7-27-17-16-13(5-6-19-17)15(22-23-16)14-9-21-18(30-14)11-3-4-12(20-8-11)10-28-29(24,25)26;;/h3-6,8-9H,2,7,10H2,1H3,(H,22,23)(H2,24,25,26);;/q;2*+1/p-2
    MOLECULAR FORMULA
    C18H16N5Na2O5PS
    CROSS REFERENCES
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    canSAR2080571
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight491.04
    AlogP-3.71
    HBond donors1
    HBond acceptors10
    Atoms48
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080571.