
 CHEMBL127119

 57 62  0  0  0  0  0  0  0  0999 V2000
    2.0488    1.8413    4.2870 C   0  0  0  0  0
    2.5257    1.1710    3.0010 C   0  0  0  0  0
    3.7401    1.8154    2.5057 N   0  0  0  0  0
    4.8063    2.0513    3.4805 C   0  0  0  0  0
    4.5282    1.4365    4.8457 C   0  0  0  0  0
    3.1342    1.8102    5.3859 C   0  0  0  0  0
    2.7666    0.8248    6.4994 C   0  0  0  0  0
    2.6383    1.4045    7.7024 C   0  0  0  0  0
    2.8809    2.8243    7.5357 C   0  0  0  0  0
    2.8517    3.8303    8.4861 C   0  0  0  0  0
    3.1039    5.1399    8.0710 C   0  0  0  0  0
    3.3747    5.4228    6.7230 C   0  0  0  0  0
    3.4034    4.4006    5.7708 C   0  0  0  0  0
    3.1607    3.0991    6.1892 C   0  0  0  0  0
    3.7452    2.3412    1.2157 C   0  0  0  0  0
    2.7937    2.2637    0.4483 O   0  0  0  0  0
    4.9130    2.9873    0.8904 N   0  0  0  0  0
    5.1321    3.6466   -0.3939 C   0  0  0  0  0
    4.1677    4.8331   -0.6566 C   0  0  0  0  0
    4.3927    5.9478    0.3832 C   0  0  0  0  0
    5.8430    6.4536    0.3133 C   0  0  0  0  0
    6.1162    7.0109   -1.0940 C   0  0  0  0  0
    5.9029    5.9100   -2.1475 C   0  0  0  0  0
    4.4533    5.4023   -2.0619 C   0  0  0  0  0
    6.8624    4.7430   -1.8624 C   0  0  0  0  0
    6.5920    4.1687   -0.4611 C   0  0  0  0  0
    6.8050    5.2853    0.5837 C   0  0  0  0  0
    1.7713    2.8753    4.0428 H   0  0  0  0  0
    1.1255    1.3543    4.6259 H   0  0  0  0  0
    1.7273    1.2034    2.2529 H   0  0  0  0  0
    2.7576    0.1137    3.1755 H   0  0  0  0  0
    4.9600    3.1325    3.5623 H   0  0  0  0  0
    5.7336    1.6218    3.0847 H   0  0  0  0  0
    5.3242    1.7277    5.5438 H   0  0  0  0  0
    4.6033    0.3445    4.7411 H   0  0  0  0  0
    2.6350   -0.2350    6.3250 H   0  0  0  0  0
    2.3922    0.9280    8.6373 H   0  0  0  0  0
    2.6344    3.6134    9.5264 H   0  0  0  0  0
    3.0833    5.9495    8.7966 H   0  0  0  0  0
    3.5583    6.4502    6.4165 H   0  0  0  0  0
    3.5979    4.6342    4.7292 H   0  0  0  0  0
    5.7264    2.5297    1.2663 H   0  0  0  0  0
    4.9811    2.8795   -1.1648 H   0  0  0  0  0
    3.1233    4.5077   -0.6134 H   0  0  0  0  0
    4.1696    5.5801    1.3918 H   0  0  0  0  0
    3.7002    6.7773    0.1924 H   0  0  0  0  0
    5.9961    7.2410    1.0595 H   0  0  0  0  0
    5.4503    7.8585   -1.2973 H   0  0  0  0  0
    7.1432    7.3920   -1.1521 H   0  0  0  0  0
    6.0977    6.3129   -3.1475 H   0  0  0  0  0
    4.2823    4.6290   -2.8209 H   0  0  0  0  0
    3.7583    6.2220   -2.2817 H   0  0  0  0  0
    6.7373    3.9591   -2.6192 H   0  0  0  0  0
    7.9018    5.0875   -1.9304 H   0  0  0  0  0
    7.2945    3.3502   -0.2622 H   0  0  0  0  0
    7.8426    5.6393    0.5429 H   0  0  0  0  0
    6.6481    4.8988    1.5979 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
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  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3 15  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
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 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
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 18 26  1  0  0  0
 18 19  1  0  0  0
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 19 24  1  0  0  0
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 27 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL127119

>  <PubChem CID>
19908315

>  <Formula>
C24H30N2O

>  <Molecular Weight>
362.517000

>  <IUPAC Name>
N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CN(CCC12C=CC3=CC=CC=C23)C(=O)NC4C5CC6CC(C5)CC4C6

>  <Isomeric SMILES>
C1CN(CCC12C=CC3=CC=CC=C23)C(=O)NC4C5CC6CC(C5)CC4C6

>  <InChI Std. ID>
InChI=1S/C24H30N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-6,16-17,19-20,22H,7-15H2,(H,25,27)

>  <InChI Key>
DUODZCMEHSVISH-UHFFFAOYSA-N

