
 CHEMBL1939920

 57 60  0  0  0  0  0  0  0  0999 V2000
    2.4494    1.7883   -2.6889 C   0  0  0  0  0
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    7.6297   -4.2250    1.3851 N   0  0  0  0  0
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    6.6524   -4.9561   -0.5184 O   0  0  0  0  0
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    2.8826   -4.0815   -2.3896 C   0  0  0  0  0
    3.6295   -5.2876   -2.9776 C   0  0  0  0  0
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    3.8228   -4.1972   -5.2383 C   0  0  0  0  0
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    1.3644   -2.2006   -3.0885 C   0  0  0  0  0
    2.3379   -3.1469   -3.4536 C   0  0  0  0  0
    3.1393   -5.2096   -5.9781 O   0  0  0  0  0
    1.6201    1.1304   -2.4155 H   0  0  0  0  0
    2.5486    1.8007   -3.7795 H   0  0  0  0  0
    2.2088    2.8083   -2.3724 H   0  0  0  0  0
    4.3801    0.1761   -3.7541 H   0  0  0  0  0
    6.4543   -0.6075   -2.6758 H   0  0  0  0  0
    5.3792    1.5107    0.9367 H   0  0  0  0  0
    3.3259    2.3287   -0.1652 H   0  0  0  0  0
    8.1920   -1.1243    2.5984 H   0  0  0  0  0
    8.6985   -3.5129    3.0200 H   0  0  0  0  0
    7.9771   -5.1679    1.5216 H   0  0  0  0  0
    6.2786   -2.4443   -0.9617 H   0  0  0  0  0
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    4.7510   -3.0130    1.6591 H   0  0  0  0  0
    4.1580   -2.4667   -1.8795 H   0  0  0  0  0
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    2.9013   -6.0012   -3.3852 H   0  0  0  0  0
    5.1193   -5.7455   -4.4602 H   0  0  0  0  0
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    0.9872   -2.1753   -2.0670 H   0  0  0  0  0
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  1 34  1  0  0  0
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  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
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  5  6  1  0  0  0
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  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1939920

>  <PubChem CID>
57401663

>  <Formula>
C23H25N3O5S

>  <Molecular Weight>
455.529000

>  <IUPAC Name>
N-[(1R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N2C=CNC(=O)C2CC(=O)NC3CCC(C4=CC=CC=C34)O

>  <Isomeric SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]3CCC(C4=CC=CC=C34)O

>  <InChI Std. ID>
InChI=1S/C23H25N3O5S/c1-15-6-8-16(9-7-15)32(30,31)26-13-12-24-23(29)20(26)14-22(28)25-19-10-11-21(27)18-5-3-2-4-17(18)19/h2-9,12-13,19-21,27H,10-11,14H2,1H3,(H,24,29)(H,25,28)/t19-,20-,21?/m1/s1

>  <InChI Key>
AQQBPLGXTZEGKW-OSBQEZSISA-N

