
 CHEMBL247891

 75 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL247891

>  <PubChem CID>
44438745

>  <Formula>
C31H35F2N3O4

>  <Molecular Weight>
551.635000

>  <IUPAC Name>
N-[1-[[4-[3-(dicyclopropylamino)propoxy]-3-fluorophenyl]methyl]piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC1N(CCCOC2=C(C=C(C=C2)CN3CCC(CC3)NC(=O)C4=CC(=O)C5=C(O4)C=C(C=C5)F)F)C6CC6

>  <Isomeric SMILES>
C1CC1N(CCCOC2=C(C=C(C=C2)CN3CCC(CC3)NC(=O)C4=CC(=O)C5=C(O4)C=C(C=C5)F)F)C6CC6

>  <InChI Std. ID>
InChI=1S/C31H35F2N3O4/c32-21-3-8-25-27(37)18-30(40-29(25)17-21)31(38)34-22-10-13-35(14-11-22)19-20-2-9-28(26(33)16-20)39-15-1-12-36(23-4-5-23)24-6-7-24/h2-3,8-9,16-18,22-24H,1,4-7,10-15,19H2,(H,34,38)

>  <InChI Key>
AMVUYMPRVIDZMG-UHFFFAOYSA-N

