
 CHEMBL237663

 71 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL237663

>  <PubChem CID>
11753021

>  <Formula>
C28H32F2N6O3

>  <Molecular Weight>
538.600000

>  <IUPAC Name>
N-[(3R,6S)-1-(cyclopropylmethyl)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1CN2CC(CCC(C2=O)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5)C6=C(C(=CC=C6)F)F

>  <Isomeric SMILES>
C1C[C@H](C(=O)N(C[C@@H]1C2=C(C(=CC=C2)F)F)CC3CC3)NC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6

>  <InChI Std. ID>
InChI=1S/C28H32F2N6O3/c29-21-4-1-3-20(24(21)30)18-8-9-22(26(37)35(16-18)15-17-6-7-17)32-27(38)34-13-10-19(11-14-34)36-23-5-2-12-31-25(23)33-28(36)39/h1-5,12,17-19,22H,6-11,13-16H2,(H,32,38)(H,31,33,39)/t18-,22-/m1/s1

>  <InChI Key>
BWZFCOPYHPMTAO-XMSQKQJNSA-N

