
 CHEMBL222489

 69 72  0  0  0  0  0  0  0  0999 V2000
   -4.5187    3.0109   -6.3978 C   0  0  0  0  0
   -3.7515    2.2597   -7.4822 C   0  0  0  0  0
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   -4.6048   -3.2542   -3.6483 H   0  0  0  0  0
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   -4.9935   -7.0678   -3.9426 H   0  0  0  0  0
   -4.3402   -8.2291   -5.0593 H   0  0  0  0  0
   -6.4010   -9.0746   -4.0443 H   0  0  0  0  0
   -7.3289   -7.6959   -4.5814 H   0  0  0  0  0
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   -9.3268  -12.7021   -4.9063 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
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 33 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL222489

>  <PubChem CID>
11341394

>  <Formula>
C27H36N4O2

>  <Molecular Weight>
448.611000

>  <IUPAC Name>
2-[4-[6-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)hexyl]piperazin-1-yl]benzamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4C(=O)N

>  <Isomeric SMILES>
C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4C(=O)N

>  <InChI Std. ID>
InChI=1S/C27H36N4O2/c28-27(33)23-12-5-6-14-25(23)31-19-17-30(18-20-31)16-7-1-2-15-26(32)29-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H2,28,33)(H,29,32)

>  <InChI Key>
CUNIRIUQESLLLU-UHFFFAOYSA-N

