
 CHEMBL3915107

 50 53  0  0  0  0  0  0  0  0999 V2000
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   -2.1098    2.8778    1.4485 C   0  0  0  0  0
   -3.1685    2.3056    2.3010 N   0  0  0  0  0
   -2.6468    2.1488    3.6006 C   0  0  0  0  0
   -3.2765    1.7055    4.7519 C   0  0  0  0  0
   -2.5410    1.6526    5.9409 C   0  0  0  0  0
   -1.1938    2.0402    5.9674 C   0  0  0  0  0
   -0.5632    2.4801    4.8036 C   0  0  0  0  0
   -1.3030    2.5274    3.6308 C   0  0  0  0  0
   -4.4766    2.0475    1.9169 C   0  0  0  0  0
   -5.3431    1.5867    2.6659 O   0  0  0  0  0
   -4.8517    2.3470    0.4520 C   0  0  0  0  0
   -4.6897    3.7738    0.1051 N   0  0  0  0  0
   -5.5181    4.6523    0.9582 C   0  0  0  0  0
   -5.2924    6.1225    0.5781 C   0  0  0  0  0
   -5.6136    6.3599   -0.7969 O   0  0  0  0  0
   -4.8261    5.5139   -1.6606 C   0  0  0  0  0
   -5.0396    4.0229   -1.3136 C   0  0  0  0  0
   -5.2188    5.8556   -3.1028 C   0  0  0  0  0
   -4.5107    5.0361   -4.0340 O   0  0  0  0  0
   -4.7535    5.2932   -5.3583 C   0  0  0  0  0
   -4.5378    4.2193   -6.2250 C   0  0  0  0  0
   -4.7315    4.3784   -7.5973 C   0  0  0  0  0
   -5.1233    5.6087   -8.1198 C   0  0  0  0  0
   -5.3243    6.6867   -7.2604 C   0  0  0  0  0
   -5.1402    6.5295   -5.8833 C   0  0  0  0  0
   -4.4817    3.0452   -8.6569 Cl  0  0  0  0  0
   -0.0763    2.2302    1.8997 H   0  0  0  0  0
   -0.4009    3.9473    2.2846 H   0  0  0  0  0
   -1.9869    2.2682    0.5476 H   0  0  0  0  0
   -2.3986    3.8898    1.1494 H   0  0  0  0  0
   -4.3175    1.4022    4.7564 H   0  0  0  0  0
   -3.0212    1.3074    6.8533 H   0  0  0  0  0
   -0.6385    1.9936    6.9009 H   0  0  0  0  0
    0.4811    2.7752    4.8206 H   0  0  0  0  0
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   -4.2544    6.4254    0.7629 H   0  0  0  0  0
   -3.7640    5.7610   -1.5246 H   0  0  0  0  0
   -6.0868    3.7461   -1.4945 H   0  0  0  0  0
   -4.4077    3.4023   -1.9593 H   0  0  0  0  0
   -4.9791    6.9150   -3.2503 H   0  0  0  0  0
   -6.3009    5.7285   -3.2378 H   0  0  0  0  0
   -4.2265    3.2583   -5.8251 H   0  0  0  0  0
   -5.2673    5.7351   -9.1895 H   0  0  0  0  0
   -5.6171    7.6541   -7.6612 H   0  0  0  0  0
   -5.2868    7.4011   -5.2542 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  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 10  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3915107

>  <PubChem CID>
71061724

>  <Formula>
C21H23ClN2O3

>  <Molecular Weight>
386.876000

>  <IUPAC Name>
2-[(2S)-2-[(3-chlorophenoxy)methyl]morpholin-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)C(=O)CN3CCOC(C3)COC4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)C(=O)CN3CCO[C@@H](C3)COC4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C21H23ClN2O3/c22-17-5-3-6-18(12-17)27-15-19-13-23(10-11-26-19)14-21(25)24-9-8-16-4-1-2-7-20(16)24/h1-7,12,19H,8-11,13-15H2/t19-/m0/s1

>  <InChI Key>
APCQYPHUPXTFSO-IBGZPJMESA-N

