
 CHEMBL514267

 55 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL514267

>  <PubChem CID>
25209191

>  <Formula>
C23H23ClFN5O2

>  <Molecular Weight>
455.918000

>  <IUPAC Name>
N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-2-fluorobenzamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2F)CN3C(=O)C(=C(C=N3)N4CCNCC4)Cl

>  <Isomeric SMILES>
CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2F)CN3C(=O)C(=C(C=N3)N4CCNCC4)Cl

>  <InChI Std. ID>
InChI=1S/C23H23ClFN5O2/c1-15-16(5-4-8-19(15)28-22(31)17-6-2-3-7-18(17)25)14-30-23(32)21(24)20(13-27-30)29-11-9-26-10-12-29/h2-8,13,26H,9-12,14H2,1H3,(H,28,31)

>  <InChI Key>
OUKGWHNUYSNLLP-UHFFFAOYSA-N

