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canSAR1686107
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)nc2)OCc2cnnn2CCCC1=O
    InChI
    InChI=1S/C27H36N6O6S/c1-20-16-32(21(2)18-34)27(35)10-7-13-33-22(14-29-30-33)19-38-25(20)17-31(3)40(36,37)24-11-12-26(28-15-24)39-23-8-5-4-6-9-23/h4-6,8-9,11-12,14-15,20-21,25,34H,7,10,13,16-19H2,1-3H3/t20-,21+,25-/m1/s1
    MOLECULAR FORMULA
    C27H36N6O6S
    CROSS REFERENCES
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    canSAR1686107

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 572.24
    AlogP 2.31
    HBond donors 1
    HBond acceptors 12
    Atoms 76
    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 canSAR1686107.