
 CHEMBL477008

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL477008

>  <PubChem CID>
25209050

>  <Formula>
C29H29N5O2

>  <Molecular Weight>
479.584000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C29H29N5O2/c1-21-25(20-34-28(35)18-26(19-31-34)33-16-14-30-15-17-33)8-5-9-27(21)32-29(36)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-13,18-19,30H,14-17,20H2,1H3,(H,32,36)

>  <InChI Key>
MAQUYJAFLAKYAE-UHFFFAOYSA-N

