
 CHEMBL3941579

 55 58  0  0  0  0  0  0  0  0999 V2000
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    3.7960   -7.8345    2.3939 N   0  0  0  0  0
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    3.5834   -3.5207    8.1838 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3941579

>  <PubChem CID>
71618636

>  <Formula>
C22H27N3O3

>  <Molecular Weight>
381.476000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCOC(C3)COC4=C(N=CC=C4)C

>  <Isomeric SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCO[C@@H](C3)COC4=C(N=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C22H27N3O3/c1-16-12-18-6-3-4-7-20(18)25(16)22(26)14-24-10-11-27-19(13-24)15-28-21-8-5-9-23-17(21)2/h3-9,16,19H,10-15H2,1-2H3/t16?,19-/m0/s1

>  <InChI Key>
COXVGVOSFMXIOC-CVMIBEPCSA-N

