
 CHEMBL557172

 64 68  0  0  0  0  0  0  0  0999 V2000
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    3.9848   -4.8674    3.4272 H   0  0  0  0  0
    3.3507   -3.1296    1.8604 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL557172

>  <PubChem CID>
10347240

>  <Formula>
C28H27Cl2N3O4

>  <Molecular Weight>
540.441000

>  <IUPAC Name>
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC5=C(C=C4)C(C6=CC=CC=C65)O.Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC5=C(C=C4)C(C6=CC=CC=C65)O.Cl

>  <InChI Std. ID>
InChI=1S/C28H26ClN3O4.ClH/c29-18-5-8-25-17(13-18)16-36-28(35)32(25)20-9-11-31(12-10-20)15-26(33)30-19-6-7-23-24(14-19)21-3-1-2-4-22(21)27(23)34;/h1-8,13-14,20,27,34H,9-12,15-16H2,(H,30,33);1H

>  <InChI Key>
KGEWQPHYVFNNSS-UHFFFAOYSA-N

