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canSAR2017734
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4cc(N5CCN(C)CC5)ccc4CCN3C(=O)[C@H]2[C@H](C)O)cc1
    InChI
    InChI=1S/C28H38N4O5S/c1-19(33)27-26(30(3)38(35,36)23-9-7-22(37-4)8-10-23)18-25-24-17-21(31-15-13-29(2)14-16-31)6-5-20(24)11-12-32(25)28(27)34/h5-10,17,19,25-27,33H,11-16,18H2,1-4H3/t19-,25-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C28H38N4O5S
    CROSS REFERENCES
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    canSAR2017734

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.26
    AlogP 1.96
    HBond donors 1
    HBond acceptors 9
    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 canSAR2017734.