
 CHEMBL3883429

 54 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3883429

>  <PubChem CID>
134131272

>  <Formula>
C22H23Cl2N5O2

>  <Molecular Weight>
460.359000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCOC2=NN(C(=O)C=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(CCN1CCCOC2=NN(C(=O)C=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C22H23Cl2N5O2/c23-18-6-5-17(16-19(18)24)29-22(30)8-7-21(26-29)31-15-3-10-27-11-13-28(14-12-27)20-4-1-2-9-25-20/h1-2,4-9,16H,3,10-15H2

>  <InChI Key>
AFXWVOVMMKFRCZ-UHFFFAOYSA-N

