
 CHEMBL2203713

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.3679   -1.2136   -0.1864 C   0  0  0  0  0
    2.6514   -1.9614   -0.5432 C   0  0  0  0  0
    3.5595   -1.1182   -1.3223 N   0  0  0  0  0
    3.8764    0.1168   -0.5988 C   0  0  0  0  0
    2.6076    0.8972   -0.2597 C   0  0  0  0  0
    1.6574    0.0701    0.6247 C   0  0  0  0  0
    2.2200   -0.2189    1.9828 N   0  0  0  0  0
    1.5311   -1.2457    2.8184 C   0  0  0  0  0
    0.8013   -0.5710    3.9847 C   0  0  0  0  0
    1.5055    0.7314    4.0219 C   0  0  0  0  0
    2.2923    0.8835    2.8809 C   0  0  0  0  0
    3.1041    2.0035    2.7876 C   0  0  0  0  0
    3.0688    2.9794    3.7998 C   0  0  0  0  0
    2.2040    2.8590    4.8982 C   0  0  0  0  0
    1.4317    1.7016    5.0136 C   0  0  0  0  0
    2.1869    3.7538    5.9707 N   0  0  0  0  0
    2.0103    5.0490    5.9004 C   0  0  0  0  0
    1.7633    5.8278    4.6894 C   0  0  0  0  0
    1.0533    5.5235    3.5430 C   0  0  0  0  0
    1.0627    6.5866    2.5905 C   0  0  0  0  0
    1.7567    7.6833    3.0457 C   0  0  0  0  0
    2.3922    7.4309    4.6093 S   0  0  0  0  0
    2.0952    5.6591    7.1296 N   0  0  0  0  0
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    4.5164    0.7351   -1.2374 H   0  0  0  0  0
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    2.0892    1.1483   -1.1965 H   0  0  0  0  0
    0.7121    0.6160    0.7462 H   0  0  0  0  0
    0.8289   -1.8814    2.2771 H   0  0  0  0  0
    2.3070   -1.9189    3.2090 H   0  0  0  0  0
   -0.2613   -0.4308    3.7665 H   0  0  0  0  0
    0.9239   -1.1439    4.9084 H   0  0  0  0  0
    3.8196    2.1161    1.9837 H   0  0  0  0  0
    3.7389    3.8313    3.7326 H   0  0  0  0  0
    0.8104    1.5520    5.8906 H   0  0  0  0  0
    0.5447    4.5799    3.3874 H   0  0  0  0  0
    0.5768    6.5496    1.6236 H   0  0  0  0  0
    1.9164    8.6256    2.5387 H   0  0  0  0  0
    2.5446    5.0579    7.8105 H   0  0  0  0  0
    2.4461    6.6102    7.1156 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
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  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
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  8  9  1  0  0  0
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  8 35  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2203713

>  <PubChem CID>
25014630

>  <Formula>
C18H22N4S

>  <Molecular Weight>
326.462000

>  <IUPAC Name>
N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CNCCC1N2CCC3=C2C=CC(=C3)N=C(C4=CC=CS4)N

>  <Isomeric SMILES>
C1CNCCC1N2CCC3=C2C=CC(=C3)N=C(C4=CC=CS4)N

>  <InChI Std. ID>
InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)

>  <InChI Key>
BLZNLOLTHDUEOL-UHFFFAOYSA-N

