canSAR538192
FEATURES
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NAMES
    SMILES
    CCCc1c(C(=O)[O-])nc2c(CCC)c3oc(C(=O)[O-])cc(=O)c3cc2c1Cl.[Na+].[Na+]
    InChI
    InChI=1S/C20H18ClNO6.2Na/c1-3-5-9-15(21)12-7-11-13(23)8-14(19(24)25)28-18(11)10(6-4-2)16(12)22-17(9)20(26)27;;/h7-8H,3-6H2,1-2H3,(H,24,25)(H,26,27);;/q;2*+1/p-2
    MOLECULAR FORMULA
    C20H16ClNNa2O6
    CROSS REFERENCES
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    canSAR538192
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight447.05
    AlogP-4.37
    HBond donors0
    HBond acceptors7
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR538192.