canSAR540615
FEATURES
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NAMES
    SMILES
    CCC(CSC(CCc1ccccc1C(N)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-].[Na+]
    InChI
    InChI=1S/C31H31ClN2O4S.Na/c1-2-20(31(36)37)19-39-29(15-12-21-6-3-4-9-27(21)30(33)35)23-7-5-8-26(16-23)38-18-25-14-11-22-10-13-24(32)17-28(22)34-25;/h3-11,13-14,16-17,20,29H,2,12,15,18-19H2,1H3,(H2,33,35)(H,36,37);/q;+1/p-1
    MOLECULAR FORMULA
    C31H30ClN2NaO4S
    CROSS REFERENCES
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    canSAR540615
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight584.15
    AlogP2.75
    HBond donors2
    HBond acceptors6
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540615.