
 CHEMBL466425

 64 68  0  0  0  0  0  0  0  0999 V2000
    2.0213    0.1870   -0.5648 C   0  0  0  0  0
    2.5101   -0.5444    0.5976 N   0  0  0  0  0
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    4.2213   -0.3831    3.5284 C   0  0  0  0  0
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    6.1908   -0.8280    4.8939 C   0  0  0  0  0
    6.8699    0.2102    4.2760 C   0  0  0  0  0
    6.2451    0.9632    3.2891 C   0  0  0  0  0
    4.9272    0.6734    2.9209 C   0  0  0  0  0
    8.1343    0.4920    4.6185 F   0  0  0  0  0
    6.7922   -1.5580    5.8438 F   0  0  0  0  0
    1.8685   -0.7432    4.2516 N   0  0  0  0  0
    1.1502    0.3073    4.7580 C   0  0  0  0  0
    0.4958   -0.1643    5.8751 C   0  0  0  0  0
    0.8962   -1.5048    5.9819 C   0  0  0  0  0
    1.7080   -1.8760    4.9883 N   0  0  0  0  0
    1.3568    1.0102   -0.2945 H   0  0  0  0  0
    1.4753   -0.4989   -1.2194 H   0  0  0  0  0
    2.8843    0.5936   -1.1031 H   0  0  0  0  0
    4.0196   -1.9352    1.0637 H   0  0  0  0  0
    3.7573   -1.6580   -0.6482 H   0  0  0  0  0
    1.5114   -2.8292   -0.4750 H   0  0  0  0  0
    1.7692   -3.0648    1.2303 H   0  0  0  0  0
    2.3036   -5.1195    0.1344 H   0  0  0  0  0
    3.7583   -4.4335    0.8334 H   0  0  0  0  0
    5.2309   -5.6796   -0.4965 H   0  0  0  0  0
    5.2066   -5.5418   -2.2344 H   0  0  0  0  0
    4.4042   -7.7390   -1.6040 H   0  0  0  0  0
    3.2173   -7.0784   -0.4901 H   0  0  0  0  0
    1.3935   -5.3819   -3.5639 H   0  0  0  0  0
    1.1723   -5.4584   -1.8216 H   0  0  0  0  0
    3.5138   -4.2251   -3.3439 H   0  0  0  0  0
    2.3008   -3.3693   -2.4478 H   0  0  0  0  0
    0.4042   -7.6731   -0.9412 H   0  0  0  0  0
    1.7220  -10.8047   -4.5004 H   0  0  0  0  0
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    4.3882   -1.9622    5.0270 H   0  0  0  0  0
    6.7889    1.7716    2.8093 H   0  0  0  0  0
    4.4726    1.2878    2.1454 H   0  0  0  0  0
    1.1510    1.2849    4.2989 H   0  0  0  0  0
   -0.1644    0.3901    6.5239 H   0  0  0  0  0
    0.6260   -2.2284    6.7398 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2 21  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5  6  1  0  0  0
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  5 45  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 46  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL466425

>  <PubChem CID>
10345845

>  <Formula>
C26H28F3N5O2

>  <Molecular Weight>
499.538000

>  <IUPAC Name>
2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(CCCN1CCC2(CC1)C3=CN=C(C=C3CO2)F)C(=O)C(C4=CC(=C(C=C4)F)F)N5C=CC=N5

>  <Isomeric SMILES>
CN(CCCN1CCC2(CC1)C3=CN=C(C=C3CO2)F)C(=O)C(C4=CC(=C(C=C4)F)F)N5C=CC=N5

>  <InChI Std. ID>
InChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3

>  <InChI Key>
AIRCJEQVEFTOIQ-UHFFFAOYSA-N

