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canSAR1638964
FEATURES
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NAMES
    SMILES
    CC[N+](CC)(CCCCS(=O)(=O)[O-])CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1
    InChI
    InChI=1S/C26H35N2O5PS/c1-3-28(4-2,18-11-12-20-35(30,31)32)19-17-27-34(29)21-25(23-13-7-5-8-14-23)33-26(22-34)24-15-9-6-10-16-24/h5-10,13-16,21-22H,3-4,11-12,17-20H2,1-2H3,(H-,27,29,30,31,32)
    MOLECULAR FORMULA
    C26H35N2O5PS
    CROSS REFERENCES
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    canSAR1638964

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.20
    AlogP 5.06
    HBond donors 1
    HBond acceptors 7
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1638964.