
 CHEMBL281988

 79 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL281988

>  <PubChem CID>
44280356

>  <Formula>
C34H33F3N4O5

>  <Molecular Weight>
634.656000

>  <IUPAC Name>
1-[1-[2-[[(3R)-3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]piperidin-1-yl]methyl]-1-benzofuran-5-carbonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CC(CN(C1)CC2=CC3=C(O2)C=CC(=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)N7C=C(C=CC7=O)C(F)(F)F

>  <Isomeric SMILES>
C1C[C@H](CN(C1)CC2=CC3=C(O2)C=CC(=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)N7C=C(C=CC7=O)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C34H33F3N4O5/c35-34(36,37)25-8-10-31(42)40(18-25)27-5-3-13-38(19-27)20-28-17-24-16-22(7-9-30(24)46-28)32(43)39-14-11-26(12-15-39)41-29-6-2-1-4-23(29)21-45-33(41)44/h1-2,4,6-10,16-18,26-27H,3,5,11-15,19-21H2/t27-/m1/s1

>  <InChI Key>
BGUKJIRWJBBKFX-HHHXNRCGSA-N

