
 CHEMBL277678

 56 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL277678

>  <PubChem CID>
44273385

>  <Formula>
C28H18Cl2N6OS

>  <Molecular Weight>
557.453000

>  <IUPAC Name>


>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NN=C2N1C3=C(C=C(S3)C#CCN4C(=O)CN5C=CC6=C(C=CC4=C65)Cl)C(=NC2)C7=CC=CC=C7Cl

>  <Isomeric SMILES>
CC1=NN=C2N1C3=C(C=C(S3)C#CCN4C(=O)CN5C=CC6=C(C=CC4=C65)Cl)C(=NC2)C7=CC=CC=C7Cl

>  <InChI Std. ID>
InChI=1S/C28H18Cl2N6OS/c1-16-32-33-24-14-31-26(18-6-2-3-7-21(18)29)20-13-17(38-28(20)36(16)24)5-4-11-35-23-9-8-22(30)19-10-12-34(27(19)23)15-25(35)37/h2-3,6-10,12-13H,11,14-15H2,1H3

>  <InChI Key>
ACIILAYQYVDPCM-UHFFFAOYSA-N

