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canSAR2021793
FEATURES
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NAMES
    SMILES
    O=S(=O)([O-])c1cc(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4cc(S(=O)(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[Na+]
    InChI
    InChI=1S/C32H22N6O14S4.Na/c39-31-23(15-27(55(47,48)49)21-3-1-11-33-29(21)31)37-35-19-9-7-17(25(13-19)53(41,42)43)5-6-18-8-10-20(14-26(18)54(44,45)46)36-38-24-16-28(56(50,51)52)22-4-2-12-34-30(22)32(24)40;/h1-16,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);/q;+1/p-1/b6-5+,37-35+,38-36+;
    MOLECULAR FORMULA
    C32H21N6NaO14S4
    CROSS REFERENCES
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    canSAR2021793

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 863.99
    AlogP 2.84
    HBond donors 5
    HBond acceptors 20
    Atoms 78
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021793.