
 SCHEMBL15987713

 75 79  0  0  0  0  0  0  0  0999 V2000
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    5.2230    5.8542   -1.9039 C   0  0  0  0  0
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    5.4419    2.4107   -0.1842 C   0  0  0  0  0
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    7.7567    2.4838   -0.6643 N   0  0  0  0  0
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    6.2615    7.5131   -2.8964 H   0  0  0  0  0
    5.2020    6.9723   -0.0268 H   0  0  0  0  0
    3.6083    6.3845   -0.5086 H   0  0  0  0  0
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    3.3462    5.1307   -2.7718 H   0  0  0  0  0
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    4.8396    1.8882    0.5582 H   0  0  0  0  0
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   13.5722    3.1798   -4.1075 H   0  0  0  0  0
   13.7277    1.4762   -3.6576 H   0  0  0  0  0
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   15.0296    3.8434   -2.2373 H   0  0  0  0  0
   17.3998    4.0303   -2.3164 H   0  0  0  0  0
   17.4198    2.0139   -0.9790 H   0  0  0  0  0
   18.9301    1.7716   -1.8649 H   0  0  0  0  0
   17.9514   -0.0692   -2.9326 H   0  0  0  0  0
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   17.7980    0.3921   -5.4555 H   0  0  0  0  0
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   19.4848    3.5943   -3.5865 H   0  0  0  0  0
   18.2062    4.0107   -4.7370 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL15987713

>  <PubChem CID>
90370346

>  <Formula>
C29H37N5O4

>  <Molecular Weight>
519.646000

>  <IUPAC Name>
N-tert-butyl-2-[4-(3-methoxyphenyl)-1-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]acetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)NC(=O)CC1=NN(C(=O)N1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)CCN4C5CCC4COC5

>  <Isomeric SMILES>
CC(C)(C)NC(=O)CC1=NN(C(=O)N1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)CCN4C5CCC4COC5

>  <InChI Std. ID>
InChI=1S/C29H37N5O4/c1-29(2,3)30-27(35)17-26-31-34(28(36)33(26)22-6-5-7-25(16-22)37-4)21-10-8-20(9-11-21)14-15-32-23-12-13-24(32)19-38-18-23/h5-11,16,23-24H,12-15,17-19H2,1-4H3,(H,30,35)

>  <InChI Key>
AXMBUGATQYFCJJ-UHFFFAOYSA-N

