
 CHEMBL1170894

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1170894

>  <PubChem CID>
136016477

>  <Formula>
C29H26FN5O4

>  <Molecular Weight>
527.556000

>  <IUPAC Name>
N-[3-cyano-4-[3-[3-(dimethylamino)butanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(CC(=O)NC1=CC=CC(=C1)C2=CC(=NC(=C2C#N)NC(=O)C3=CC=CO3)C4=C(C=C(C=C4)F)O)N(C)C

>  <Isomeric SMILES>
CC(CC(=O)NC1=CC=CC(=C1)C2=CC(=NC(=C2C#N)NC(=O)C3=CC=CO3)C4=C(C=C(C=C4)F)O)N(C)C

>  <InChI Std. ID>
InChI=1S/C29H26FN5O4/c1-17(35(2)3)12-27(37)32-20-7-4-6-18(13-20)22-15-24(21-10-9-19(30)14-25(21)36)33-28(23(22)16-31)34-29(38)26-8-5-11-39-26/h4-11,13-15,17,36H,12H2,1-3H3,(H,32,37)(H,33,34,38)

>  <InChI Key>
HFPGCDPLKGDCOD-UHFFFAOYSA-N

