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M  END

>  <Chemical Name>
MLS002156773

>  <PubChem CID>
16319239

>  <Formula>
C23H20FN5O2S

>  <Molecular Weight>
449.504000

>  <IUPAC Name>
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-3-ylquinazoline

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C23H20FN5O2S/c24-18-7-9-19(10-8-18)32(30,31)29-14-12-28(13-15-29)23-20-5-1-2-6-21(20)26-22(27-23)17-4-3-11-25-16-17/h1-11,16H,12-15H2

>  <InChI Key>
AIEZKTDMVNDTBE-UHFFFAOYSA-N

