
 CHEMBL2381337

 55 57  0  0  0  0  0  0  0  0999 V2000
    0.7055    4.8475   -2.9824 C   0  0  0  0  0
    1.9727    5.2101   -2.2243 C   0  0  0  0  0
    3.2122    4.6066   -2.8890 C   0  0  0  0  0
    4.4931    5.0205   -2.1486 C   0  0  0  0  0
    5.7306    4.4618   -2.7253 N   0  0  0  0  0
    5.9303    4.7954   -4.1486 C   0  0  0  0  0
    5.9579    6.2809   -4.5019 C   0  0  0  0  0
    6.9215    4.8479   -1.9345 C   0  0  0  0  0
    6.9450    4.2703   -0.5087 C   0  0  0  0  0
    8.2189    4.4695    0.1524 N   0  0  0  0  0
    8.6116    5.6864    0.6712 C   0  0  0  0  0
    7.9263    6.6967    0.5330 O   0  0  0  0  0
    9.8616    5.6718    1.4164 C   0  0  0  0  0
   10.3914    6.6909    2.1791 C   0  0  0  0  0
   11.5999    6.3074    2.8377 C   0  0  0  0  0
   12.0019    5.0143    2.5465 C   0  0  0  0  0
   10.8730    4.2975    1.4541 S   0  0  0  0  0
   13.0837    4.3140    2.9967 N   0  0  0  0  0
   12.9474    2.8872    3.3654 C   0  0  0  0  0
   14.2912    2.4065    3.9321 C   0  0  0  0  0
   14.9537    3.6987    4.2542 C   0  0  0  0  0
   16.1410    3.8843    4.9471 C   0  0  0  0  0
   16.6374    5.1780    5.0619 C   0  0  0  0  0
   15.9599    6.2512    4.4686 C   0  0  0  0  0
   14.7676    6.0394    3.7603 C   0  0  0  0  0
   14.2459    4.7584    3.6732 C   0  0  0  0  0
   -0.1634    5.3250   -2.5194 H   0  0  0  0  0
    0.5430    3.7652   -2.9784 H   0  0  0  0  0
    0.7616    5.1825   -4.0233 H   0  0  0  0  0
    1.8905    4.8575   -1.1897 H   0  0  0  0  0
    2.0674    6.3019   -2.1895 H   0  0  0  0  0
    3.2392    4.9436   -3.9305 H   0  0  0  0  0
    3.1292    3.5126   -2.9001 H   0  0  0  0  0
    4.3835    4.6563   -1.1205 H   0  0  0  0  0
    4.5518    6.1141   -2.0873 H   0  0  0  0  0
    5.1587    4.3009   -4.7492 H   0  0  0  0  0
    6.8677    4.3387   -4.4931 H   0  0  0  0  0
    5.0120    6.7757   -4.2622 H   0  0  0  0  0
    6.1253    6.4019   -5.5772 H   0  0  0  0  0
    6.7651    6.8076   -3.9840 H   0  0  0  0  0
    7.0241    5.9386   -1.8891 H   0  0  0  0  0
    7.8190    4.4725   -2.4448 H   0  0  0  0  0
    6.7682    3.1895   -0.5312 H   0  0  0  0  0
    6.1746    4.7330    0.1167 H   0  0  0  0  0
    8.8215    3.6710    0.3049 H   0  0  0  0  0
    9.9106    7.6554    2.2919 H   0  0  0  0  0
   12.1189    6.9573    3.5262 H   0  0  0  0  0
   12.6602    2.2623    2.5132 H   0  0  0  0  0
   12.1699    2.7831    4.1361 H   0  0  0  0  0
   14.8623    1.8688    3.1679 H   0  0  0  0  0
   14.1506    1.7674    4.8084 H   0  0  0  0  0
   16.6790    3.0431    5.3730 H   0  0  0  0  0
   17.5686    5.3574    5.5968 H   0  0  0  0  0
   16.3687    7.2537    4.5435 H   0  0  0  0  0
   14.2953    6.8809    3.2699 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 15 16  2  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 18 26  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
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 21 26  1  0  0  0
 21 22  2  0  0  0
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 23 24  2  0  0  0
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 25 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2381337

>  <PubChem CID>
20940584

>  <Formula>
C21H29N3OS

>  <Molecular Weight>
371.543000

>  <IUPAC Name>
N-[2-[butyl(ethyl)amino]ethyl]-5-(2,3-dihydroindol-1-yl)thiophene-2-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCN(CC)CCNC(=O)C1=CC=C(S1)N2CCC3=CC=CC=C32

>  <Isomeric SMILES>
CCCCN(CC)CCNC(=O)C1=CC=C(S1)N2CCC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C21H29N3OS/c1-3-5-14-23(4-2)16-13-22-21(25)19-10-11-20(26-19)24-15-12-17-8-6-7-9-18(17)24/h6-11H,3-5,12-16H2,1-2H3,(H,22,25)

>  <InChI Key>
CPFICEFOUWYGTN-UHFFFAOYSA-N

