
 CHEMBL457789

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL457789

>  <PubChem CID>
25209192

>  <Formula>
C30H30ClN5O2

>  <Molecular Weight>
528.053000

>  <IUPAC Name>
N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-2,2-diphenylacetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C30H30ClN5O2/c1-21-24(20-36-30(38)28(31)26(19-33-36)35-17-15-32-16-18-35)13-8-14-25(21)34-29(37)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,27,32H,15-18,20H2,1H3,(H,34,37)

>  <InChI Key>
WOIXJLRZNJNXII-UHFFFAOYSA-N

