
 CHEMBL1770725

 73 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1770725

>  <PubChem CID>
54587762

>  <Formula>
C29H32F2N6O4

>  <Molecular Weight>
566.610000

>  <IUPAC Name>
N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C1=CN=C2N1CC(CCC2NC(=O)N3CCC4(CC3)C5=C(NC(=O)O4)N=CC=C5)C6=C(C(=CC=C6)F)F)O

>  <Isomeric SMILES>
CC(C)(C1=CN=C2N1C[C@@H](CC[C@H]2NC(=O)N3CCC4(CC3)C5=C(NC(=O)O4)N=CC=C5)C6=C(C(=CC=C6)F)F)O

>  <InChI Std. ID>
InChI=1S/C29H32F2N6O4/c1-28(2,40)22-15-33-25-21(9-8-17(16-37(22)25)18-5-3-7-20(30)23(18)31)34-26(38)36-13-10-29(11-14-36)19-6-4-12-32-24(19)35-27(39)41-29/h3-7,12,15,17,21,40H,8-11,13-14,16H2,1-2H3,(H,34,38)(H,32,35,39)/t17-,21-/m1/s1

>  <InChI Key>
CGDYLVJZINGUBY-DYESRHJHSA-N

