
 CHEMBL3932290

 62 65  0  0  0  0  0  0  0  0999 V2000
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    4.8792  -12.1783    2.0648 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
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  3 28  1  0  0  0
  4  5  2  0  0  0
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  7 37  1  0  0  0
  8 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3932290

>  <PubChem CID>
117974063

>  <Formula>
C25H31N3O3

>  <Molecular Weight>
421.541000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C25H31N3O3/c1-16(2)30-22-9-8-19(12-17(22)3)23-26-27-24(31-23)20-7-6-18-10-11-25(15-29,28(4)5)14-21(18)13-20/h6-9,12-13,16,29H,10-11,14-15H2,1-5H3

>  <InChI Key>
DALGRTPZINJDQK-UHFFFAOYSA-N

