canSAR855719
FEATURES
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NAMES
    SMILES
    Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](Nc3cc[n+](COCC(Cl)(Cl)Cl)cc3C(=O)[O-])[C@H]2SC1.[Na+]
    InChI
    InChI=1S/C19H18Cl3N7O6S2.Na/c1-27-18(24-25-26-27)37-6-9-5-36-15-12(14(30)29(15)13(9)17(33)34)23-11-2-3-28(4-10(11)16(31)32)8-35-7-19(20,21)22;/h2-4,12,15H,5-8H2,1H3,(H2,31,32,33,34);/q;+1/p-1/t12-,15-;/m1./s1
    MOLECULAR FORMULA
    C19H17Cl3N7NaO6S2
    CROSS REFERENCES
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    canSAR855719
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight630.96
    AlogP-4.30
    HBond donors1
    HBond acceptors13
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR855719.