
 CHEMBL556951

 62 66  0  0  0  0  0  0  0  0999 V2000
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    3.0138   -4.1321    3.9607 H   0  0  0  0  0
    3.0208   -3.5023    6.3500 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL556951

>  <PubChem CID>
11225870

>  <Formula>
C28H26ClN3O4

>  <Molecular Weight>
503.983000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O.Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O.Cl

>  <InChI Std. ID>
InChI=1S/C28H25N3O4.ClH/c32-26(29-19-9-10-22-21-6-2-3-7-23(21)27(33)24(22)15-19)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34;/h1-10,15,20H,11-14,16-17H2,(H,29,32);1H

>  <InChI Key>
BSZGFDAUENIEDC-UHFFFAOYSA-N

