
 CHEMBL449192

 80 84  0  0  0  0  0  0  0  0999 V2000
    4.6103    9.0900   -7.9763 C   0  0  0  0  0
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    5.7078    7.4208   -3.3189 H   0  0  0  0  0
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    9.6264    6.9396   -3.3172 H   0  0  0  0  0
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    8.8342    8.4727   -1.5221 H   0  0  0  0  0
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    3.5455   12.1930    1.9494 H   0  0  0  0  0
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    6.2727   12.4579   -2.1713 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL449192

>  <PubChem CID>
44561240

>  <Formula>
C33H38N4O5

>  <Molecular Weight>
570.690000

>  <IUPAC Name>
N-[1-[4-(4-acetamidophenyl)phenyl]-2-morpholin-4-ylethyl]-2-(6,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC2=C(C=C1C)OCC(=O)N2CC(=O)N(C)C(CN3CCOCC3)C4=CC=C(C=C4)C5=CC=C(C=C5)NC(=O)C

>  <Isomeric SMILES>
CC1=CC2=C(C=C1C)OCC(=O)N2CC(=O)N(C)C(CN3CCOCC3)C4=CC=C(C=C4)C5=CC=C(C=C5)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C33H38N4O5/c1-22-17-29-31(18-23(22)2)42-21-33(40)37(29)20-32(39)35(4)30(19-36-13-15-41-16-14-36)27-7-5-25(6-8-27)26-9-11-28(12-10-26)34-24(3)38/h5-12,17-18,30H,13-16,19-21H2,1-4H3,(H,34,38)

>  <InChI Key>
BEKQKLIWZQJREN-UHFFFAOYSA-N

