
 MLS001095782

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M  END

>  <Chemical Name>
MLS001095782

>  <PubChem CID>
20957177

>  <Formula>
C22H25ClN6O3

>  <Molecular Weight>
456.931000

>  <IUPAC Name>
N-[(2-chlorophenyl)methyl]-3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC12OCCO2)C3=NN4C(=NN=C4CCC(=O)NCC5=CC=CC=C5Cl)C=C3

>  <Isomeric SMILES>
C1CN(CCC12OCCO2)C3=NN4C(=NN=C4CCC(=O)NCC5=CC=CC=C5Cl)C=C3

>  <InChI Std. ID>
InChI=1S/C22H25ClN6O3/c23-17-4-2-1-3-16(17)15-24-21(30)8-7-19-26-25-18-5-6-20(27-29(18)19)28-11-9-22(10-12-28)31-13-14-32-22/h1-6H,7-15H2,(H,24,30)

>  <InChI Key>
AUNUOERGMPQPBP-UHFFFAOYSA-N

