
 452105-23-6

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M  END

>  <Chemical Name>
452105-23-6

>  <PubChem CID>
10138259

>  <Formula>
C23H27FN4O4

>  <Molecular Weight>
442.491000

>  <IUPAC Name>
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(NC(=C1C(=O)NCC(CN2CCOCC2)O)C)C=C3C4=C(C=CC(=C4)F)NC3=O

>  <Isomeric SMILES>
CC1=C(NC(=C1C(=O)NC[C@@H](CN2CCOCC2)O)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O

>  <InChI Std. ID>
InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1

>  <InChI Key>
CTNPALGJUAXMMC-PMFHANACSA-N

