
 CHEMBL24456

 81 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL24456

>  <PubChem CID>
15840423

>  <Formula>
C32H38F3N3O5

>  <Molecular Weight>
601.667000

>  <IUPAC Name>
1-[1-[2-[4-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)phenyl]acetyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CC1CN2CCC(CC2)OC3=CC(=C(C=C3)CC(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)OCC(F)(F)F

>  <Isomeric SMILES>
C1CC1CN2CCC(CC2)OC3=CC(=C(C=C3)CC(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)OCC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C32H38F3N3O5/c33-32(34,35)21-42-29-18-27(43-26-11-13-36(14-12-26)19-22-5-6-22)8-7-23(29)17-30(39)37-15-9-25(10-16-37)38-28-4-2-1-3-24(28)20-41-31(38)40/h1-4,7-8,18,22,25-26H,5-6,9-17,19-21H2

>  <InChI Key>
FESJTQVJBDVIDG-UHFFFAOYSA-N

