
 CHEMBL3916072

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.3962   -0.1895    0.4692 C   0  0  0  0  0
    2.8378   -0.2299    0.0395 C   0  0  0  0  0
    3.5545    0.9540   -0.2110 C   0  0  0  0  0
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    5.4942   -2.8385   -0.6664 C   0  0  0  0  0
    6.6896   -3.1165   -1.1438 N   0  0  0  0  0
    6.7898   -4.4968   -1.1699 N   0  0  0  0  0
    5.6572   -4.9576   -0.6793 C   0  0  0  0  0
    4.7864   -3.9608   -0.3293 O   0  0  0  0  0
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    5.7456   -7.3496   -1.2913 C   0  0  0  0  0
    5.2756   -8.6704   -1.1979 C   0  0  0  0  0
    4.2088   -8.9657   -0.3326 C   0  0  0  0  0
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    5.8900   -9.7262   -2.0888 C   0  0  0  0  0
    6.5268  -11.5307   -0.3989 C   0  0  0  0  0
    7.8883  -11.6397   -0.8215 O   0  0  0  0  0
    5.9809  -12.1101   -2.7096 N   0  0  0  0  0
    3.6526   -7.9434    0.4459 C   0  0  0  0  0
    4.1269   -6.6331    0.3429 C   0  0  0  0  0
    2.8524    2.1174   -0.0435 O   0  0  0  0  0
    3.4814    3.3695   -0.3366 C   0  0  0  0  0
    3.3785    3.6695   -1.8297 C   0  0  0  0  0
    2.7412    4.4376    0.4637 C   0  0  0  0  0
    0.8165    0.4756   -0.1799 H   0  0  0  0  0
    1.3217    0.1554    1.5043 H   0  0  0  0  0
    0.9335   -1.1800    0.4047 H   0  0  0  0  0
    5.4871    1.7491   -0.8253 H   0  0  0  0  0
    6.5608   -0.4056   -1.0602 H   0  0  0  0  0
    2.9199   -2.3823    0.1122 H   0  0  0  0  0
    6.5612   -7.1190   -1.9774 H   0  0  0  0  0
    4.0293  -10.7511    0.8044 H   0  0  0  0  0
    2.5897  -10.3530   -0.1381 H   0  0  0  0  0
    3.8930  -12.3519   -0.9786 H   0  0  0  0  0
    3.5312  -11.1159   -2.1751 H   0  0  0  0  0
    5.4563   -9.5813   -3.0883 H   0  0  0  0  0
    6.9689   -9.5510   -2.1818 H   0  0  0  0  0
    6.2404  -12.4981    0.0286 H   0  0  0  0  0
    6.4829  -10.7821    0.3976 H   0  0  0  0  0
    7.8309  -11.9596   -1.7464 H   0  0  0  0  0
    5.4112  -11.8996   -3.5310 H   0  0  0  0  0
    5.7259  -13.0615   -2.4381 H   0  0  0  0  0
    2.8433   -8.1585    1.1406 H   0  0  0  0  0
    3.6706   -5.8605    0.9577 H   0  0  0  0  0
    4.5226    3.3877    0.0019 H   0  0  0  0  0
    2.3299    3.7222   -2.1458 H   0  0  0  0  0
    3.8433    2.8816   -2.4298 H   0  0  0  0  0
    3.8636    4.6187   -2.0742 H   0  0  0  0  0
    1.6791    4.4688    0.1962 H   0  0  0  0  0
    3.1758    5.4288    0.2974 H   0  0  0  0  0
    2.7897    4.2117    1.5350 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 35  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
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 11 13  1  0  0  0
 13 14  2  0  0  0
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 17 37  1  0  0  0
 17 38  1  0  0  0
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 19 23  1  0  0  0
 19 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3916072

>  <PubChem CID>
56961656

>  <Formula>
C23H27N3O3

>  <Molecular Weight>
393.487000

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

>  <XlogP>
3.1

>  <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)N)C=C3)OC(C)C

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

>  <InChI Std. ID>
InChI=1S/C23H27N3O3/c1-14(2)28-20-7-6-17(10-15(20)3)21-25-26-22(29-21)18-5-4-16-8-9-23(24,13-27)12-19(16)11-18/h4-7,10-11,14,27H,8-9,12-13,24H2,1-3H3

>  <InChI Key>
STYOWZCUSFFFIJ-UHFFFAOYSA-N

