
 CHEMBL477643

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL477643

>  <PubChem CID>
25208745

>  <Formula>
C27H26ClN5O2S

>  <Molecular Weight>
520.048000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC=C1NC(=O)C2=CC=CC(=C2)C3=CC=CS3)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

>  <Isomeric SMILES>
CC1=C(C=CC=C1NC(=O)C2=CC=CC(=C2)C3=CC=CS3)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

>  <InChI Std. ID>
InChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-12-10-29-11-13-32)7-3-8-22(18)31-26(34)20-6-2-5-19(15-20)24-9-4-14-36-24/h2-9,14-16,29H,10-13,17H2,1H3,(H,31,34)

>  <InChI Key>
XCLSUCUSUODVIU-UHFFFAOYSA-N

