
 CHEMBL3416875

 46 50  0  0  0  0  0  0  0  0999 V2000
   -1.1652   -0.2339    1.1006 C   0  0  0  0  0
   -2.6441   -0.6193    1.1389 C   0  0  0  0  0
   -3.3979    0.1389    0.1438 N   0  0  0  0  0
   -2.9331   -0.0556   -1.2286 C   0  0  0  0  0
   -1.4665    0.3590   -1.3498 C   0  0  0  0  0
   -0.5787   -0.3715   -0.3233 C   0  0  0  0  0
   -0.3552   -1.8683   -0.7138 C   0  0  0  0  0
    1.0030   -2.2459   -0.2899 N   0  0  0  0  0
    1.7002   -1.0163   -0.3550 C   0  0  0  0  0
    3.0734   -0.8645   -0.3003 C   0  0  0  0  0
    3.6018    0.4291   -0.3030 C   0  0  0  0  0
    2.7536    1.5460   -0.3300 C   0  0  0  0  0
    1.3671    1.3841   -0.3434 C   0  0  0  0  0
    0.8544    0.0948   -0.3506 C   0  0  0  0  0
   -4.0619    1.2938    0.5885 C   0  0  0  0  0
   -3.9577    1.6797    1.7531 O   0  0  0  0  0
   -4.9047    2.0378   -0.3507 C   0  0  0  0  0
   -5.7110    1.5193   -1.3513 C   0  0  0  0  0
   -6.3612    2.5525   -1.9705 N   0  0  0  0  0
   -6.0483    3.7441   -1.3609 C   0  0  0  0  0
   -5.1495    3.4540   -0.3326 C   0  0  0  0  0
   -4.6884    4.5184    0.4736 C   0  0  0  0  0
   -5.1364    5.8218    0.2275 C   0  0  0  0  0
   -6.0281    6.0728   -0.8110 C   0  0  0  0  0
   -6.5022    5.0421   -1.6290 C   0  0  0  0  0
   -6.5680    7.6842   -1.0926 Cl  0  0  0  0  0
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   -1.0623    0.8066    1.4382 H   0  0  0  0  0
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   -3.5076    0.5230   -1.9505 H   0  0  0  0  0
   -3.0620   -1.1151   -1.4785 H   0  0  0  0  0
   -1.1141    0.1764   -2.3730 H   0  0  0  0  0
   -1.4016    1.4435   -1.1915 H   0  0  0  0  0
   -0.4244   -2.0036   -1.8019 H   0  0  0  0  0
   -1.0860   -2.5442   -0.2601 H   0  0  0  0  0
    1.4537   -2.9593   -0.8569 H   0  0  0  0  0
    3.7288   -1.7268   -0.2494 H   0  0  0  0  0
    4.6788    0.5717   -0.2689 H   0  0  0  0  0
    3.1801    2.5461   -0.3213 H   0  0  0  0  0
    0.7151    2.2515   -0.3322 H   0  0  0  0  0
   -5.8841    0.4989   -1.6662 H   0  0  0  0  0
   -7.0105    2.4569   -2.7395 H   0  0  0  0  0
   -3.9997    4.3257    1.2935 H   0  0  0  0  0
   -4.7845    6.6329    0.8598 H   0  0  0  0  0
   -7.2037    5.2419   -2.4316 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 35  1  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
 12 40  1  0  0  0
 13 14  2  0  0  0
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 15 17  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3416875

>  <PubChem CID>
59657691

>  <Formula>
C21H20ClN3O

>  <Molecular Weight>
365.861000

>  <IUPAC Name>
(6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC12CNC3=CC=CC=C23)C(=O)C4=CNC5=C4C=CC(=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC12CNC3=CC=CC=C23)C(=O)C4=CNC5=C4C=CC(=C5)Cl

>  <InChI Std. ID>
InChI=1S/C21H20ClN3O/c22-14-5-6-15-16(12-23-19(15)11-14)20(26)25-9-7-21(8-10-25)13-24-18-4-2-1-3-17(18)21/h1-6,11-12,23-24H,7-10,13H2

>  <InChI Key>
HKQVHJRZJYPGJU-UHFFFAOYSA-N

