
 SCHEMBL15746102

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M  END

>  <Chemical Name>
SCHEMBL15746102

>  <PubChem CID>
90181070

>  <Formula>
C22H27N3O3

>  <Molecular Weight>
381.476000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C22H27N3O3/c1-16-7-8-23-21(11-16)28-15-19-13-24(9-10-27-19)14-22(26)25-17(2)12-18-5-3-4-6-20(18)25/h3-8,11,17,19H,9-10,12-15H2,1-2H3/t17?,19-/m1/s1

>  <InChI Key>
ZGWKETCDELPQRC-WHCXFUJUSA-N

