
 CHEMBL2440453

 59 62  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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  7 39  1  0  0  0
  7 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2440453

>  <PubChem CID>
9886435

>  <Formula>
C22H31N3O3

>  <Molecular Weight>
385.508000

>  <IUPAC Name>
N-[[1-(3-hydroxybutyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(CCN1CCC(CC1)CNC(=O)C2=C3N(CCCO3)C4=CC=CC=C42)O

>  <Isomeric SMILES>
CC(CCN1CCC(CC1)CNC(=O)C2=C3N(CCCO3)C4=CC=CC=C42)O

>  <InChI Std. ID>
InChI=1S/C22H31N3O3/c1-16(26)7-11-24-12-8-17(9-13-24)15-23-21(27)20-18-5-2-3-6-19(18)25-10-4-14-28-22(20)25/h2-3,5-6,16-17,26H,4,7-15H2,1H3,(H,23,27)

>  <InChI Key>
BHQIBLIRLOZADN-UHFFFAOYSA-N

