
 SCHEMBL6046517

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M  END

>  <Chemical Name>
SCHEMBL6046517

>  <PubChem CID>
69647268

>  <Formula>
C30H35N5O

>  <Molecular Weight>
481.644000

>  <IUPAC Name>
4-[[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl]methyl]morpholine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=C(CC4)C=C(C=C5)CN6CCOCC6)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=C(CC4)C=C(C=C5)CN6CCOCC6)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C30H35N5O/c1-4-28-33-29-20(2)15-21(3)31-30(29)35(28)19-23-6-10-27-25(17-23)8-7-24-16-22(5-9-26(24)32-27)18-34-11-13-36-14-12-34/h5-6,9-10,15-17,32H,4,7-8,11-14,18-19H2,1-3H3

>  <InChI Key>
MNYFOJHNHPRFCP-UHFFFAOYSA-N

