
 CHEMBL198604

 88 92  0  0  0  0  0  0  0  0999 V2000
   10.0775    2.4363    2.7688 C   0  0  0  0  0
    9.2299    2.6919    1.5265 C   0  0  0  0  0
    7.8004    2.3493    1.6788 N   0  0  0  0  0
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    7.5678   -0.2096   -0.3735 C   0  0  0  0  0
    9.5943   -3.0510   -1.8729 C   0  0  0  0  0
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    4.7558    3.3497    1.6839 C   0  0  0  0  0
    3.3081    3.3089    1.5228 N   0  0  0  0  0
    2.5231    4.3781    1.0717 C   0  0  0  0  0
    2.9052    5.6657    0.7327 C   0  0  0  0  0
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    0.5726    6.1641    0.2423 C   0  0  0  0  0
    0.2012    4.8626    0.5803 C   0  0  0  0  0
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    5.2550    1.6404    0.4587 H   0  0  0  0  0
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    3.9351    5.9960    0.7820 H   0  0  0  0  0
    2.1886    7.5752    0.0298 H   0  0  0  0  0
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    0.5453    2.5551    3.4361 H   0  0  0  0  0
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    0.4289    0.1576    2.9473 H   0  0  0  0  0
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    1.0167   -0.3220    0.6645 H   0  0  0  0  0
    1.5367    1.6805   -0.6464 H   0  0  0  0  0
   -0.1117    2.2620   -0.4957 H   0  0  0  0  0
   -0.7791   -1.7265    1.7341 H   0  0  0  0  0
   -1.7903   -1.3078    0.3554 H   0  0  0  0  0
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   -4.1297   -0.2682    0.7416 H   0  0  0  0  0
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   -5.6663    0.9086    2.3361 H   0  0  0  0  0
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   -5.4164   -1.3311    5.8239 H   0  0  0  0  0
   -6.4207   -1.7418    4.4498 H   0  0  0  0  0
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   -4.4376   -4.1772    2.9624 H   0  0  0  0  0
   -5.4195   -2.8333    2.4854 H   0  0  0  0  0
   -2.4357   -3.2511    2.3788 H   0  0  0  0  0
   -3.5183   -2.8344    1.0690 H   0  0  0  0  0
    5.0629    4.2152   -0.6908 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
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  8 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL198604

>  <PubChem CID>
15982791

>  <Formula>
C34H49N3O2

>  <Molecular Weight>
531.785000

>  <IUPAC Name>
1'-(cyclooctylmethyl)-1-[3-[ethyl-[(4-methylphenyl)methyl]amino]-2-hydroxypropyl]spiro[indole-3,4'-piperidine]-2-one

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC1=CC=C(C=C1)C)CC(CN2C3=CC=CC=C3C4(C2=O)CCN(CC4)CC5CCCCCCC5)O

>  <Isomeric SMILES>
CCN(CC1=CC=C(C=C1)C)CC(CN2C3=CC=CC=C3C4(C2=O)CCN(CC4)CC5CCCCCCC5)O

>  <InChI Std. ID>
InChI=1S/C34H49N3O2/c1-3-35(23-29-17-15-27(2)16-18-29)25-30(38)26-37-32-14-10-9-13-31(32)34(33(37)39)19-21-36(22-20-34)24-28-11-7-5-4-6-8-12-28/h9-10,13-18,28,30,38H,3-8,11-12,19-26H2,1-2H3

>  <InChI Key>
AYCGNXRJKLUATE-UHFFFAOYSA-N

