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canSAR652291
FEATURES
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NAMES
    SMILES
    CN1C2CCC1[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]3C4CCC(C[C@@H]3c3ccc(-c5ccsc5)cc3)N4C)CC1)[C@@H](c1ccc(-c3ccsc3)cc1)C2
    InChI
    InChI=1S/C44H52N4O2S2/c1-47-35-15-17-39(47)41(37(23-35)29-7-3-27(4-8-29)31-19-21-51-25-31)43(49)45-33-11-13-34(14-12-33)46-44(50)42-38(24-36-16-18-40(42)48(36)2)30-9-5-28(6-10-30)32-20-22-52-26-32/h3-10,19-22,25-26,33-42H,11-18,23-24H2,1-2H3,(H,45,49)(H,46,50)/t33-,34-,35?,36?,37-,38-,39?,40?,41-,42+/m1/s1
    MOLECULAR FORMULA
    C44H52N4O2S2
    CROSS REFERENCES
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    canSAR652291

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 732.35
    AlogP 8.52
    HBond donors 2
    HBond acceptors 6
    Atoms 104
    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 canSAR652291.