
 CHEMBL182146

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL182146

>  <PubChem CID>
44389653

>  <Formula>
C28H25F6N3O3

>  <Molecular Weight>
565.516000

>  <IUPAC Name>
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-morpholin-4-yl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CN(C(=O)C2=C(N=C(C=C2C3=CC=CC=C3)N4CCOCC4)OC1)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
C1CN(C(=O)C2=C(N=C(C=C2C3=CC=CC=C3)N4CCOCC4)OC1)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C28H25F6N3O3/c29-27(30,31)20-13-18(14-21(15-20)28(32,33)34)17-37-7-4-10-40-25-24(26(37)38)22(19-5-2-1-3-6-19)16-23(35-25)36-8-11-39-12-9-36/h1-3,5-6,13-16H,4,7-12,17H2

>  <InChI Key>
CTAAVMUWEAKCGO-UHFFFAOYSA-N

