
 CHEMBL2381786

 68 73  0  0  0  0  0  0  0  0999 V2000
    5.4595   -0.4583   -5.4066 C   0  0  0  0  0
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   11.5840    9.2573   -0.7709 C   0  0  0  0  0
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    5.1126   -0.4615   -6.4442 H   0  0  0  0  0
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    6.2132   -0.8038   -0.5590 H   0  0  0  0  0
    7.3661   -2.9679   -1.3314 H   0  0  0  0  0
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   10.3136   -4.4366    2.3804 H   0  0  0  0  0
    9.9246   -2.0227    2.0157 H   0  0  0  0  0
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   11.0341    6.8115   -1.9355 H   0  0  0  0  0
   12.4027    5.9260   -1.2831 H   0  0  0  0  0
   13.0765    8.2288   -1.9619 H   0  0  0  0  0
   14.2506    7.1740   -0.0279 H   0  0  0  0  0
   14.1409    8.9201    0.1860 H   0  0  0  0  0
   13.5234    7.7294    2.2924 H   0  0  0  0  0
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   11.4774    6.3126    2.3465 H   0  0  0  0  0
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   10.8683    9.3385   -1.5985 H   0  0  0  0  0
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    9.4653    7.6083    1.4246 H   0  0  0  0  0
    9.2793    7.8590   -0.3034 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2381786

>  <PubChem CID>
71680878

>  <Formula>
C28H34N4O2

>  <Molecular Weight>
458.606000

>  <IUPAC Name>
N-(1-adamantyl)-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

>  <InChI Std. ID>
InChI=1S/C28H34N4O2/c1-2-3-7-10-31-18-23(26(33)29-28-15-19-11-20(16-28)13-21(12-19)17-28)27(34)32-25(31)14-24(30-32)22-8-5-4-6-9-22/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,29,33)

>  <InChI Key>
JEUUPPZWHDFNDP-UHFFFAOYSA-N

