
 CHEMBL3960882

 52 55  0  0  0  0  0  0  0  0999 V2000
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    2.5886   -0.3809   -3.4736 H   0  0  0  0  0
    3.6217    0.3744   -2.2255 H   0  0  0  0  0
    0.6992    1.1283   -1.9510 H   0  0  0  0  0
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  6  7  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3960882

>  <PubChem CID>
134156180

>  <Formula>
C21H25N3O3

>  <Molecular Weight>
367.449000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCOC(C3)COC4=CC=CC=N4

>  <Isomeric SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCO[C@@H](C3)COC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C21H25N3O3/c1-16-12-17-6-2-3-7-19(17)24(16)21(25)14-23-10-11-26-18(13-23)15-27-20-8-4-5-9-22-20/h2-9,16,18H,10-15H2,1H3/t16?,18-/m0/s1

>  <InChI Key>
JARTYEPYHDKVNL-DAFXYXGESA-N

