
 CHEMBL1801357

 47 49  0  0  0  0  0  0  0  0999 V2000
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    0.2383   -2.7504   -2.9810 C   0  0  0  0  0
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    0.0393   -2.4408   -0.5950 C   0  0  0  0  0
    0.9578   -1.3891   -0.6428 C   0  0  0  0  0
    1.5465   -1.0001   -1.8691 C   0  0  0  0  0
    1.8638    1.4960   -0.0691 N   0  0  0  0  0
    2.2684    2.4105    1.0138 C   0  0  0  0  0
    1.0512    3.1356    1.6161 C   0  0  0  0  0
    0.3833    4.0421    0.5971 C   0  0  0  0  0
    0.9885    5.1500   -0.0110 C   0  0  0  0  0
    0.2600    5.9000   -0.9481 C   0  0  0  0  0
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   -0.9014    3.6994    0.2744 C   0  0  0  0  0
   -1.3999    2.2889    1.1491 S   0  0  0  0  0
   -2.5066    2.3699    2.2121 O   0  0  0  0  0
   -1.4826    0.9213    0.4550 O   0  0  0  0  0
    0.0766    2.1287    2.1228 N   0  0  0  0  0
    0.8856    2.7317   -5.2847 Cl  0  0  0  0  0
    4.3425    0.5764    0.9584 H   0  0  0  0  0
    4.7059   -0.4534   -0.4463 H   0  0  0  0  0
    3.3220   -0.8564    0.6146 H   0  0  0  0  0
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    3.7220    1.2115   -3.3407 H   0  0  0  0  0
    3.0192   -0.0061   -5.3420 H   0  0  0  0  0
    1.4097   -1.8540   -5.1931 H   0  0  0  0  0
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    1.1874   -0.8905    0.2836 H   0  0  0  0  0
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    1.4024    3.7691    2.4626 H   0  0  0  0  0
    2.0047    5.4282    0.2368 H   0  0  0  0  0
    0.7154    6.7586   -1.4242 H   0  0  0  0  0
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   -2.6623    4.1298   -0.8958 H   0  0  0  0  0
   -0.1689    2.3672    3.1117 H   0  0  0  0  0
    0.4478    1.9844   -4.2160 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1801357

>  <PubChem CID>
56662907

>  <Formula>
C20H21ClN2O2S

>  <Molecular Weight>
388.910000

>  <IUPAC Name>
(1R)-N-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3C4=CC=CC=C4S(=O)(=O)N3.Cl

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3C4=CC=CC=C4S(=O)(=O)N3.Cl

>  <InChI Std. ID>
InChI=1S/C20H20N2O2S.ClH/c1-14(16-11-6-8-15-7-2-3-9-17(15)16)21-13-19-18-10-4-5-12-20(18)25(23,24)22-19;/h2-12,14,19,21-22H,13H2,1H3;1H/t14-,19?;/m1./s1

>  <InChI Key>
UBDAWHOTHVTRCH-NWGPWHLASA-N

