
 1103458-91-8

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M  END

>  <Chemical Name>
1103458-91-8

>  <PubChem CID>
25209705

>  <Formula>
C29H30N6O3

>  <Molecular Weight>
510.598000

>  <IUPAC Name>
4-(6-methoxypyridin-3-yl)-N-[2-methyl-3-[(6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]benzamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CN=C(C=C3)OC)CN4C(=O)C=C(C=N4)N5CCNCC5

>  <Isomeric SMILES>
CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CN=C(C=C3)OC)CN4C(=O)C=C(C=N4)N5CCNCC5

>  <InChI Std. ID>
InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)

>  <InChI Key>
IFWGJAXMPXZADJ-UHFFFAOYSA-N

