
 CHEMBL1770557

 70 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1770557

>  <PubChem CID>
54580803

>  <Formula>
C28H28F5N7O2

>  <Molecular Weight>
589.571000

>  <IUPAC Name>
N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CC(C2=NC=C(N2CC1C3=C(C(=CC=C3)F)F)CC(F)(F)F)NC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6

>  <Isomeric SMILES>
C1C[C@H](C2=NC=C(N2C[C@@H]1C3=C(C(=CC=C3)F)F)CC(F)(F)F)NC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6

>  <InChI Std. ID>
InChI=1S/C28H28F5N7O2/c29-20-4-1-3-19(23(20)30)16-6-7-21(25-35-14-18(39(25)15-16)13-28(31,32)33)36-26(41)38-11-8-17(9-12-38)40-22-5-2-10-34-24(22)37-27(40)42/h1-5,10,14,16-17,21H,6-9,11-13,15H2,(H,36,41)(H,34,37,42)/t16-,21-/m1/s1

>  <InChI Key>
BMFHNHUWMVEAMQ-IIBYNOLFSA-N

