
 CHEMBL1171296

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1171296

>  <PubChem CID>
136016492

>  <Formula>
C30H26FN5O4

>  <Molecular Weight>
539.567000

>  <IUPAC Name>
N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[(2-piperidin-1-ylacetyl)amino]phenyl]pyridin-2-yl]furan-2-carboxamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCN(CC1)CC(=O)NC2=CC=CC(=C2)C3=CC(=NC(=C3C#N)NC(=O)C4=CC=CO4)C5=C(C=C(C=C5)F)O

>  <Isomeric SMILES>
C1CCN(CC1)CC(=O)NC2=CC=CC(=C2)C3=CC(=NC(=C3C#N)NC(=O)C4=CC=CO4)C5=C(C=C(C=C5)F)O

>  <InChI Std. ID>
InChI=1S/C30H26FN5O4/c31-20-9-10-22(26(37)15-20)25-16-23(24(17-32)29(34-25)35-30(39)27-8-5-13-40-27)19-6-4-7-21(14-19)33-28(38)18-36-11-2-1-3-12-36/h4-10,13-16,37H,1-3,11-12,18H2,(H,33,38)(H,34,35,39)

>  <InChI Key>
BUCTUHCCKBUAHS-UHFFFAOYSA-N

