
 CHEMBL3945798

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.5753    0.2188   -0.6913 C   0  0  0  0  0
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    4.2674  -11.9643    2.2222 O   0  0  0  0  0
    3.5102  -12.6107   -0.3193 N   0  0  0  0  0
    6.4378   -8.6011   -0.3849 C   0  0  0  0  0
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    4.5757    4.3622   -1.2010 C   0  0  0  0  0
    2.9336    4.3061    0.6878 C   0  0  0  0  0
    1.3075    0.9241   -1.4851 H   0  0  0  0  0
    1.1949    0.5891    0.2662 H   0  0  0  0  0
    1.0714   -0.7267   -0.9174 H   0  0  0  0  0
    5.9943    1.7996   -0.5247 H   0  0  0  0  0
    6.9137   -0.4444   -0.3993 H   0  0  0  0  0
    2.9463   -2.1157   -0.5640 H   0  0  0  0  0
    3.3536   -6.2666   -0.5307 H   0  0  0  0  0
    5.2365  -11.0018   -1.4457 H   0  0  0  0  0
    5.7895  -11.1085    0.2258 H   0  0  0  0  0
    1.5460  -10.7302   -0.5387 H   0  0  0  0  0
    2.6964  -10.5443   -1.8538 H   0  0  0  0  0
    2.1718   -8.6504    0.4642 H   0  0  0  0  0
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    7.3174   -9.2441   -0.3416 H   0  0  0  0  0
    7.6232   -6.8233   -0.3460 H   0  0  0  0  0
    4.7638    3.2209    0.6347 H   0  0  0  0  0
    3.8008    4.6622   -1.9153 H   0  0  0  0  0
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    5.0527    5.2638   -0.8048 H   0  0  0  0  0
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    3.3686    5.1949    1.1547 H   0  0  0  0  0
    2.4867    3.6837    1.4708 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
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  6  8  1  0  0  0
  7 35  1  0  0  0
  8 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3945798

>  <PubChem CID>
117974352

>  <Formula>
C23H27N3O3

>  <Molecular Weight>
393.487000

>  <IUPAC Name>
[2-amino-6-[3-(3-methyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-yl]methanol

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C3=CC4=C(CC(CC4)(CO)N)C=C3)OC(C)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C3=CC4=C(CC(CC4)(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)21-25-22(29-26-21)18-4-5-19-12-23(24,13-27)9-8-16(19)11-18/h4-7,10-11,14,27H,8-9,12-13,24H2,1-3H3

>  <InChI Key>
LFUPXMIEVYXTOH-UHFFFAOYSA-N

