
 CHEMBL299780

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL299780

>  <PubChem CID>
14347352

>  <Formula>
C27H26F2N2O

>  <Molecular Weight>
432.515000

>  <IUPAC Name>
(2E)-5,5-bis(4-fluorophenyl)-N-[(2S)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide

>  <XlogP>
6.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(CCCC1=CN=CC=C1)NC(=O)C=CC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
C[C@@H](CCCC1=CN=CC=C1)NC(=O)/C=C/C=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C27H26F2N2O/c1-20(5-2-6-21-7-4-18-30-19-21)31-27(32)9-3-8-26(22-10-14-24(28)15-11-22)23-12-16-25(29)17-13-23/h3-4,7-20H,2,5-6H2,1H3,(H,31,32)/b9-3+/t20-/m0/s1

>  <InChI Key>
AYVHAGIUGRHDQX-UTJZZEGQSA-N

