canSAR938515
FEATURES
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NAMES
    SMILES
    Nc1nc(-c2cccc(-c3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O.[Na+]
    InChI
    InChI=1S/C29H26N6O8S.Na/c30-25-22-27(33-26(32-25)18-10-6-9-17(13-18)16-7-2-1-3-8-16)35(15-31-22)29-24(38)23(37)21(43-29)14-42-44(40,41)34-28(39)19-11-4-5-12-20(19)36;/h1-13,15,21,23-24,29,37-38H,14H2,(H4,30,32,33,34,36,39);/q;+1/p-1/t21-,23-,24-,29-;/m1./s1
    MOLECULAR FORMULA
    C29H25N6NaO8S
    CROSS REFERENCES
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    canSAR938515
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight640.14
    AlogP-0.45
    HBond donors5
    HBond acceptors14
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR938515.