
 CHEMBL1770729

 77 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1770729

>  <PubChem CID>
54581910

>  <Formula>
C31H34F2N6O4

>  <Molecular Weight>
592.648000

>  <IUPAC Name>
N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyloxolan-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>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1(CCCO1)C2=CN=C3N2CC(CCC3NC(=O)N4CCC5(CC4)C6=C(NC(=O)O5)N=CC=C6)C7=C(C(=CC=C7)F)F

>  <Isomeric SMILES>
CC1(CCCO1)C2=CN=C3N2C[C@@H](CC[C@H]3NC(=O)N4CCC5(CC4)C6=C(NC(=O)O5)N=CC=C6)C7=C(C(=CC=C7)F)F

>  <InChI Std. ID>
InChI=1S/C31H34F2N6O4/c1-30(10-4-16-42-30)24-17-35-27-23(9-8-19(18-39(24)27)20-5-2-7-22(32)25(20)33)36-28(40)38-14-11-31(12-15-38)21-6-3-13-34-26(21)37-29(41)43-31/h2-3,5-7,13,17,19,23H,4,8-12,14-16,18H2,1H3,(H,36,40)(H,34,37,41)/t19-,23-,30?/m1/s1

>  <InChI Key>
CAMDENMMQUEDNW-OORMIDIWSA-N

