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canSAR2015505
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(C)(=O)=O
    InChI
    InChI=1S/C27H35N3O5S/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)4)21-11-7-6-10-20(21)17-35-24(18)15-28(3)36(5,33)34/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19+,24-/m0/s1
    MOLECULAR FORMULA
    C27H35N3O5S
    CROSS REFERENCES
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    canSAR2015505

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.23
    AlogP 3.09
    HBond donors 1
    HBond acceptors 8
    Atoms 71
    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 canSAR2015505.