
 CHEMBL537858

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL537858

>  <PubChem CID>
10459582

>  <Formula>
C27H27Cl2N3O4

>  <Molecular Weight>
528.430000

>  <IUPAC Name>
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5.Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5.Cl

>  <InChI Std. ID>
InChI=1S/C27H26ClN3O4.ClH/c28-20-6-11-25-19(16-20)18-34-27(33)31(25)22-12-14-30(15-13-22)17-26(32)29-21-7-9-24(10-8-21)35-23-4-2-1-3-5-23;/h1-11,16,22H,12-15,17-18H2,(H,29,32);1H

>  <InChI Key>
IFAPUCAQCWHLBX-UHFFFAOYSA-N

