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canSAR1999000
FEATURES
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NAMES
    SMILES
    COc1ccc(CN[C@H](CCCNC(=N)[NH3+])C(=O)O)c(Cl)c1OC
    InChI
    InChI=1S/C15H23ClN4O4/c1-23-11-6-5-9(12(16)13(11)24-2)8-20-10(14(21)22)4-3-7-19-15(17)18/h5-6,10,20H,3-4,7-8H2,1-2H3,(H,21,22)(H4,17,18,19)/p+1/t10-/m1/s1
    MOLECULAR FORMULA
    C15H24ClN4O4+
    CROSS REFERENCES
    1999000 logo

    canSAR1999000

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.15
    AlogP 0.45
    HBond donors 7
    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 canSAR1999000.