
 CHEMBL2087797

 74 78  0  0  0  0  0  0  0  0999 V2000
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    4.0772    0.9084   -0.9595 H   0  0  0  0  0
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    8.4133    1.1036    4.5405 H   0  0  0  0  0
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    6.7047    1.5389    4.6737 H   0  0  0  0  0
    8.3422    3.2982   -0.9186 H   0  0  0  0  0
   10.7118    3.3628   -1.6042 H   0  0  0  0  0
   12.2580    1.5581   -1.0230 H   0  0  0  0  0
    9.0790   -1.7442    4.0389 H   0  0  0  0  0
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   16.6221   -0.0821    1.0409 H   0  0  0  0  0
   15.1279    0.3541    3.6874 H   0  0  0  0  0
   14.8882    1.3074    2.2238 H   0  0  0  0  0
   11.6187   -3.0293   -0.5088 H   0  0  0  0  0
   13.1017   -3.3059    0.3976 H   0  0  0  0  0
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    6.7701   -1.0255   -1.3304 H   0  0  0  0  0
    8.1224   -0.1867   -2.1579 H   0  0  0  0  0
    6.6454   -0.5869   -3.0445 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2087797

>  <PubChem CID>
60155889

>  <Formula>
C28H37N3O5S

>  <Molecular Weight>
527.680000

>  <IUPAC Name>
1-[[[7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]-(oxan-4-ylmethyl)amino]methyl]cyclopropan-1-ol

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COCC1=CC(=C(C(=C1)OC)C2=CC=CC3=C(C(=NN32)SC)N(CC4CCOCC4)CC5(CC5)O)OC

>  <Isomeric SMILES>
COCC1=CC(=C(C(=C1)OC)C2=CC=CC3=C(C(=NN32)SC)N(CC4CCOCC4)CC5(CC5)O)OC

>  <InChI Std. ID>
InChI=1S/C28H37N3O5S/c1-33-17-20-14-23(34-2)25(24(15-20)35-3)21-6-5-7-22-26(27(37-4)29-31(21)22)30(18-28(32)10-11-28)16-19-8-12-36-13-9-19/h5-7,14-15,19,32H,8-13,16-18H2,1-4H3

>  <InChI Key>
AZLADSZDYUMESB-UHFFFAOYSA-N

