
 CHEMBL1172940

 61 65  0  0  0  0  0  0  0  0999 V2000
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    2.3509   -3.1299   -1.7607 H   0  0  0  0  0
    1.6198   -1.5265   -1.9366 H   0  0  0  0  0
    4.6470   -0.2514    0.2256 H   0  0  0  0  0
    3.2147    0.5045   -0.5081 H   0  0  0  0  0
    3.3753   -1.5624    1.7365 H   0  0  0  0  0
    2.8112    0.0849    1.8646 H   0  0  0  0  0
    5.2874    0.5592   -1.6949 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1172940

>  <PubChem CID>
136016518

>  <Formula>
C28H24FN5O3

>  <Molecular Weight>
497.530000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN1CCN(CC1)C2=CC=CC(=C2)C3=CC(=NC(=C3C#N)NC(=O)C4=CC=CO4)C5=C(C=C(C=C5)F)O

>  <Isomeric SMILES>
CN1CCN(CC1)C2=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/C28H24FN5O3/c1-33-9-11-34(12-10-33)20-5-2-4-18(14-20)22-16-24(21-8-7-19(29)15-25(21)35)31-27(23(22)17-30)32-28(36)26-6-3-13-37-26/h2-8,13-16,35H,9-12H2,1H3,(H,31,32,36)

>  <InChI Key>
HKKZYFOWBDIXIQ-UHFFFAOYSA-N

