
 CHEMBL450183

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M  END

>  <Chemical Name>
CHEMBL450183

>  <PubChem CID>
25209536

>  <Formula>
C31H33ClN6O3

>  <Molecular Weight>
573.094000

>  <IUPAC Name>
N-[3-[[5-chloro-4-(3,5-dimethylpiperazin-1-yl)-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(CC(N1)C)C2=C(C(=O)N(N=C2)CC3=C(C(=CC=C3)NC(=O)C4=CC=C(C=C4)C5=CN=C(C=C5)OC)C)Cl

>  <Isomeric SMILES>
CC1CN(CC(N1)C)C2=C(C(=O)N(N=C2)CC3=C(C(=CC=C3)NC(=O)C4=CC=C(C=C4)C5=CN=C(C=C5)OC)C)Cl

>  <InChI Std. ID>
InChI=1S/C31H33ClN6O3/c1-19-16-37(17-20(2)35-19)27-15-34-38(31(40)29(27)32)18-25-6-5-7-26(21(25)3)36-30(39)23-10-8-22(9-11-23)24-12-13-28(41-4)33-14-24/h5-15,19-20,35H,16-18H2,1-4H3,(H,36,39)

>  <InChI Key>
PIJVLUXGTSNNFE-UHFFFAOYSA-N

