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canSAR1270187
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NAMES
    SMILES
    Cc1cccc(NC(=S)N2CCN(C(=O)[C@]34CC[C@@H](C)[C@H](C)[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CC2)c1
    InChI
    InChI=1S/C42H63N3O2S/c1-27-10-9-11-30(26-27)43-37(48)45-24-22-44(23-25-45)36(47)42-19-14-28(2)29(3)35(42)31-12-13-33-39(6)17-16-34(46)38(4,5)32(39)15-18-41(33,8)40(31,7)20-21-42/h9-12,26,28-29,32-35,46H,13-25H2,1-8H3,(H,43,48)/t28-,29+,32+,33-,34+,35+,39+,40-,41-,42+/m1/s1
    MOLECULAR FORMULA
    C42H63N3O2S
    CROSS REFERENCES
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    canSAR1270187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 673.46
    AlogP 8.85
    HBond donors 2
    HBond acceptors 5
    Atoms 111
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1270187.