
 CHEMBL1934102

 58 63  0  0  0  0  0  0  0  0999 V2000
    1.2385   -0.6151   -0.6697 C   0  0  0  0  0
    1.4633    0.3810    0.4546 C   0  0  0  0  0
    2.3303    1.4781    0.0524 N   0  0  0  0  0
    3.7093    1.4570    0.1427 C   0  0  0  0  0
    4.1664    2.6903   -0.3209 C   0  0  0  0  0
    5.5563    2.9428   -0.3267 C   0  0  0  0  0
    6.4587    1.9683    0.1355 C   0  0  0  0  0
    5.9630    0.7323    0.5642 C   0  0  0  0  0
    4.5916    0.4588    0.5847 C   0  0  0  0  0
    7.9486    2.2486    0.0967 C   0  0  0  0  0
    8.6977    1.7016    1.2413 N   0  0  0  0  0
    8.3684    2.3576    2.5165 C   0  0  0  0  0
    9.4483    3.3139    3.0202 C   0  0  0  0  0
   10.7962    2.5897    3.2009 C   0  0  0  0  0
   10.9714    1.4325    2.1982 C   0  0  0  0  0
   10.1350    1.6666    0.9421 C   0  0  0  0  0
   10.9650    2.0673    4.6293 C   0  0  0  0  0
   12.0045    2.6150    5.2770 C   0  0  0  0  0
   12.6389    3.5574    4.3756 C   0  0  0  0  0
   13.7441    4.3623    4.5907 C   0  0  0  0  0
   14.1654    5.1986    3.5539 C   0  0  0  0  0
   13.4820    5.2180    2.3279 C   0  0  0  0  0
   12.3682    4.4008    2.1189 C   0  0  0  0  0
   11.9539    3.5713    3.1522 C   0  0  0  0  0
    3.0240    3.4570   -0.7113 C   0  0  0  0  0
    2.8598    4.7498   -1.2541 C   0  0  0  0  0
    1.5755    5.2289   -1.5300 C   0  0  0  0  0
    0.4593    4.4398   -1.2742 C   0  0  0  0  0
    0.5947    3.1544   -0.7411 C   0  0  0  0  0
    1.8892    2.6814   -0.4653 C   0  0  0  0  0
    0.5771   -1.4204   -0.3363 H   0  0  0  0  0
    2.1824   -1.0635   -0.9969 H   0  0  0  0  0
    0.7798   -0.1336   -1.5395 H   0  0  0  0  0
    1.9157   -0.1096    1.3228 H   0  0  0  0  0
    0.5112    0.8015    0.7938 H   0  0  0  0  0
    5.9193    3.9001   -0.6898 H   0  0  0  0  0
    6.6561   -0.0369    0.9023 H   0  0  0  0  0
    4.2361   -0.5049    0.9338 H   0  0  0  0  0
    8.1283    3.3294    0.0216 H   0  0  0  0  0
    8.3155    1.7983   -0.8356 H   0  0  0  0  0
    8.2206    1.5674    3.2638 H   0  0  0  0  0
    7.4135    2.8945    2.4712 H   0  0  0  0  0
    9.1189    3.7724    3.9622 H   0  0  0  0  0
    9.5361    4.1404    2.3024 H   0  0  0  0  0
   10.6570    0.4788    2.6456 H   0  0  0  0  0
   12.0240    1.3012    1.9156 H   0  0  0  0  0
   10.4597    2.5957    0.4573 H   0  0  0  0  0
   10.3284    0.8532    0.2326 H   0  0  0  0  0
   10.3065    1.3257    5.0624 H   0  0  0  0  0
   12.3304    2.4115    6.2840 H   0  0  0  0  0
   14.2722    4.3484    5.5376 H   0  0  0  0  0
   15.0304    5.8414    3.6969 H   0  0  0  0  0
   13.8231    5.8776    1.5331 H   0  0  0  0  0
   11.8447    4.4257    1.1695 H   0  0  0  0  0
    3.7265    5.3715   -1.4576 H   0  0  0  0  0
    1.4511    6.2250   -1.9471 H   0  0  0  0  0
   -0.5336    4.8263   -1.4927 H   0  0  0  0  0
   -0.2856    2.5494   -0.5508 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 17  1  0  0  0
 14 24  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  2  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 51  1  0  0  0
 21 22  2  0  0  0
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 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  2  0  0  0
 23 54  1  0  0  0
 25 30  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 27 28  2  0  0  0
 27 56  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 29 30  2  0  0  0
 29 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1934102

>  <PubChem CID>
30979231

>  <Formula>
C28H28N2

>  <Molecular Weight>
392.546000

>  <IUPAC Name>
1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)CN3CCC4(CC3)C=CC5=CC=CC=C45)C6=CC=CC=C61

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)CN3CCC4(CC3)C=CC5=CC=CC=C45)C6=CC=CC=C61

>  <InChI Std. ID>
InChI=1S/C28H28N2/c1-2-30-26-10-6-4-8-23(26)24-19-21(11-12-27(24)30)20-29-17-15-28(16-18-29)14-13-22-7-3-5-9-25(22)28/h3-14,19H,2,15-18,20H2,1H3

>  <InChI Key>
DJJUGAGBNLLTTH-UHFFFAOYSA-N

