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canSAR660510
FEATURES
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NAMES
    SMILES
    CN1[C@H](C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1.Cl
    InChI
    InChI=1S/C28H30N2O6S.ClH/c1-29-24(19-27(31)21-9-4-2-5-10-21)13-8-14-25(29)20-28(22-11-6-3-7-12-22)36-37(34,35)26-17-15-23(16-18-26)30(32)33;/h2-7,9-12,15-18,24-25,28H,8,13-14,19-20H2,1H3;1H/t24-,25+,28+;/m1./s1
    MOLECULAR FORMULA
    C28H31ClN2O6S
    CROSS REFERENCES
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    canSAR660510

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.16
    AlogP 5.98
    HBond donors 0
    HBond acceptors 8
    Atoms 69
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR660510.