
 CHEMBL3633657

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.3473   -0.7918    0.9111 C   0  0  0  0  0
    1.6789   -0.9725   -0.3872 N   0  0  0  0  0
    2.2421    0.0200   -1.3441 C   0  0  0  0  0
    1.6220   -0.0693   -2.7416 C   0  0  0  0  0
    2.0677   -0.9017   -3.5362 O   0  0  0  0  0
    0.5093    0.8145   -3.1102 C   0  0  0  0  0
    0.2998    1.3797   -4.3671 C   0  0  0  0  0
   -0.8533    2.1208   -4.2978 N   0  0  0  0  0
   -1.4047    2.0728   -3.0457 C   0  0  0  0  0
   -2.5787    2.6687   -2.5681 C   0  0  0  0  0
   -2.9098    2.4682   -1.2279 C   0  0  0  0  0
   -2.0960    1.6997   -0.4054 C   0  0  0  0  0
   -0.9338    1.1021   -0.9094 C   0  0  0  0  0
   -0.5673    1.2815   -2.2635 C   0  0  0  0  0
    1.0208    1.3868   -5.6109 C   0  0  0  0  0
    1.9113    0.4895   -6.1749 C   0  0  0  0  0
    2.3184    1.0130   -7.4277 C   0  0  0  0  0
    1.6464    2.1970   -7.5762 C   0  0  0  0  0
    0.8534    2.4266   -6.5022 O   0  0  0  0  0
    1.8800   -2.3592   -0.8789 C   0  0  0  0  0
    1.2955   -3.4207    0.0678 C   0  0  0  0  0
    2.0460   -4.0296    0.8365 O   0  0  0  0  0
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   -2.7900   -4.5582   -0.2427 O   0  0  0  0  0
   -2.4439   -3.1968   -0.5382 C   0  0  0  0  0
   -0.9789   -3.0812   -0.9662 C   0  0  0  0  0
    3.4123   -1.0491    0.8670 H   0  0  0  0  0
    1.8709   -1.3981    1.6889 H   0  0  0  0  0
    2.2621    0.2484    1.2461 H   0  0  0  0  0
    3.3257   -0.1195   -1.4584 H   0  0  0  0  0
    2.0989    1.0407   -0.9683 H   0  0  0  0  0
   -1.2309    2.6433   -5.0795 H   0  0  0  0  0
   -3.2139    3.2701   -3.2122 H   0  0  0  0  0
   -3.8125    2.9199   -0.8240 H   0  0  0  0  0
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    3.0105    0.5718   -8.1319 H   0  0  0  0  0
    1.6188    2.9523   -8.3499 H   0  0  0  0  0
    2.9472   -2.5788   -1.0144 H   0  0  0  0  0
    1.4074   -2.5155   -1.8519 H   0  0  0  0  0
    0.0730   -5.2628    1.4228 H   0  0  0  0  0
   -0.2812   -5.7228   -0.2488 H   0  0  0  0  0
   -2.3055   -6.0648    1.0634 H   0  0  0  0  0
   -2.2326   -4.4349    1.7463 H   0  0  0  0  0
   -3.1003   -2.8528   -1.3449 H   0  0  0  0  0
   -2.6507   -2.5781    0.3449 H   0  0  0  0  0
   -0.8240   -3.6114   -1.9115 H   0  0  0  0  0
   -0.7259   -2.0298   -1.1160 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
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 15 16  2  0  0  0
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 17 18  2  0  0  0
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 18 41  1  0  0  0
 20 21  1  0  0  0
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 23 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3633657

>  <PubChem CID>
122195447

>  <Formula>
C21H23N3O4

>  <Molecular Weight>
381.432000

>  <IUPAC Name>
1-[2-(furan-2-yl)-1H-indol-3-yl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethanone

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CO3)CC(=O)N4CCOCC4

>  <Isomeric SMILES>
CN(CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CO3)CC(=O)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C21H23N3O4/c1-23(14-19(26)24-8-11-27-12-9-24)13-17(25)20-15-5-2-3-6-16(15)22-21(20)18-7-4-10-28-18/h2-7,10,22H,8-9,11-14H2,1H3

>  <InChI Key>
ZXRVOLIRSFHFJD-UHFFFAOYSA-N

