
 CHEMBL394467

 64 68  0  0  0  0  0  0  0  0999 V2000
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    3.9270    0.2832    3.8808 H   0  0  0  0  0
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    6.6731    0.0895   -7.3809 H   0  0  0  0  0
  1  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL394467

>  <PubChem CID>
44440048

>  <Formula>
C26H30N4O3S

>  <Molecular Weight>
478.611000

>  <IUPAC Name>
(2S)-1-naphthalen-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NC4CCN(CC4)CC5=CC=CC=N5

>  <Isomeric SMILES>
C1C[C@H](N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NC4CCN(CC4)CC5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C26H30N4O3S/c31-26(28-22-12-16-29(17-13-22)19-23-8-3-4-14-27-23)25-9-5-15-30(25)34(32,33)24-11-10-20-6-1-2-7-21(20)18-24/h1-4,6-8,10-11,14,18,22,25H,5,9,12-13,15-17,19H2,(H,28,31)/t25-/m0/s1

>  <InChI Key>
FLELMKFYZJPMHL-VWLOTQADSA-N

