
 CHEMBL3954502

 61 64  0  0  0  0  0  0  0  0999 V2000
   10.8031   -0.1485   -1.2918 C   0  0  0  0  0
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    7.0243   -3.3220   -0.4621 C   0  0  0  0  0
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    4.9673   -3.7133   -1.0253 N   0  0  0  0  0
    5.5375   -4.8377   -0.6401 C   0  0  0  0  0
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    5.5080  -12.4304    1.9673 O   0  0  0  0  0
    6.8952  -12.1811   -0.6078 N   0  0  0  0  0
    8.2607  -12.2619   -0.4320 C   0  0  0  0  0
    8.9097  -11.4916    0.2650 O   0  0  0  0  0
    8.9010  -13.4182   -1.1544 C   0  0  0  0  0
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    3.6834   -6.4674   -0.3742 C   0  0  0  0  0
   12.3312   -1.6566    0.4851 O   0  0  0  0  0
   13.2176   -2.3986    1.3334 C   0  0  0  0  0
   13.7432   -3.6426    0.6187 C   0  0  0  0  0
   14.3822   -1.4714    1.6730 C   0  0  0  0  0
   11.7987   -0.3630   -1.6940 H   0  0  0  0  0
   10.8645    0.7022   -0.6061 H   0  0  0  0  0
   10.1716    0.1377   -2.1394 H   0  0  0  0  0
   11.0276   -3.7443    1.7364 H   0  0  0  0  0
    8.7579   -4.4019    1.2946 H   0  0  0  0  0
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    3.3948  -10.4194    0.9817 H   0  0  0  0  0
    2.6810  -10.3846   -0.6315 H   0  0  0  0  0
    4.2341  -12.3181   -0.3060 H   0  0  0  0  0
    4.6355  -11.2960   -1.6695 H   0  0  0  0  0
    6.8544   -9.7737   -1.5423 H   0  0  0  0  0
    7.4199   -9.4168    0.0884 H   0  0  0  0  0
    5.4993  -10.3844    1.9928 H   0  0  0  0  0
    7.0872  -11.1297    1.9258 H   0  0  0  0  0
    6.0726  -13.1263    1.5862 H   0  0  0  0  0
    6.4586  -12.8221   -1.2551 H   0  0  0  0  0
    8.2738  -13.7821   -1.9735 H   0  0  0  0  0
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   14.4567   -4.1853    1.2475 H   0  0  0  0  0
   14.9077   -1.1512    0.7662 H   0  0  0  0  0
   15.0977   -1.9631    2.3389 H   0  0  0  0  0
   14.0156   -0.5635    2.1636 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 38  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
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 32 59  1  0  0  0
 32 60  1  0  0  0
 32 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3954502

>  <PubChem CID>
117974195

>  <Formula>
C25H29N3O4

>  <Molecular Weight>
435.524000

>  <IUPAC Name>
N-[2-(hydroxymethyl)-7-[5-(3-methyl-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-naphthalen-2-yl]acetamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2=NN=C(O2)C3=CC4=C(CCC(C4)(CO)NC(=O)C)C=C3)OC(C)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2=NN=C(O2)C3=CC4=C(CCC(C4)(CO)NC(=O)C)C=C3)OC(C)C

>  <InChI Std. ID>
InChI=1S/C25H29N3O4/c1-15(2)31-22-8-7-19(11-16(22)3)23-27-28-24(32-23)20-6-5-18-9-10-25(14-29,26-17(4)30)13-21(18)12-20/h5-8,11-12,15,29H,9-10,13-14H2,1-4H3,(H,26,30)

>  <InChI Key>
AICSALBSALSCEK-UHFFFAOYSA-N

