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canSAR1063649
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=C/C(=O)N2CC(COS(=O)(=O)Cc3ccccc3)c3c2cc([N+](=O)[O-])c2cc(C(N)=O)ccc32)cc1O
    InChI
    InChI=1S/C31H27N3O9S/c1-42-28-11-7-19(13-27(28)35)8-12-29(36)33-16-22(17-43-44(40,41)18-20-5-3-2-4-6-20)30-23-10-9-21(31(32)37)14-24(23)25(34(38)39)15-26(30)33/h2-15,22,35H,16-18H2,1H3,(H2,32,37)/b12-8+
    MOLECULAR FORMULA
    C31H27N3O9S
    CROSS REFERENCES
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    canSAR1063649

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 617.15
    AlogP 4.25
    HBond donors 3
    HBond acceptors 12
    Atoms 71
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1063649.