canSAR606963
FEATURES
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NAMES
    SMILES
    CCOS(=O)(=O)c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)OCC)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)OCC)cc4)c4nc(c(-c5ccc(S(=O)(=O)OCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
    InChI
    InChI=1S/C52H46N4O12S4/c1-5-65-69(57,58)37-17-9-33(10-18-37)49-41-25-27-43(53-41)50(34-11-19-38(20-12-34)70(59,60)66-6-2)45-29-31-47(55-45)52(36-15-23-40(24-16-36)72(63,64)68-8-4)48-32-30-46(56-48)51(44-28-26-42(49)54-44)35-13-21-39(22-14-35)71(61,62)67-7-3/h9-32,53,56H,5-8H2,1-4H3/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
    MOLECULAR FORMULA
    C52H46N4O12S4
    CROSS REFERENCES
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    canSAR606963
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1046.20
    AlogP10.22
    HBond donors2
    HBond acceptors16
    Atoms118
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR606963.