
 CHEMBL1290216

 56 61  0  0  0  0  0  0  0  0999 V2000
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    0.2204   -3.2954    0.2196 H   0  0  0  0  0
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   -0.6480   -1.8332   -5.3931 H   0  0  0  0  0
  1 22  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4 21  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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 28 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1290216

>  <PubChem CID>
136032634

>  <Formula>
C23H28N4O

>  <Molecular Weight>
376.504000

>  <IUPAC Name>
(5S)-N-(1-adamantyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN2C(=C(C=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)NC1C6=CC=CC=C6

>  <Isomeric SMILES>
C1CN2C(=C(C=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)N[C@@H]1C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C23H28N4O/c28-22(26-23-11-15-8-16(12-23)10-17(9-15)13-23)19-14-24-27-7-6-20(25-21(19)27)18-4-2-1-3-5-18/h1-5,14-17,20,25H,6-13H2,(H,26,28)/t15?,16?,17?,20-,23?/m0/s1

>  <InChI Key>
AXGLSWIKMWWPBI-SXYIGIQMSA-N

